6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide

C106H104Cl5F15N32O21S11 — CID 173255995

IUPAC6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESNc1ccc(C(=O)NCc2ccc(S(=O)(=O)NNC(=O)CCCNc3ncc(C(F)(F)F)cc3Cl)s2)cc1N.Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)NNC(=O)CCCNc3ncc(C(F)(F)F)cc3Cl)s2)cn1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=S)s1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2cccc(=O)[nH]2)s1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)s1
InChIInChI=1S/C22H23ClF3N7O4S2.C21H21ClF3N7O4S2.C21H20ClF3N6O5S2.C21H20ClF3N6O4S3.C21H20ClF3N6O4S2/c23-15-9-13(22(24,25)26)10-30-20(15)29-7-1-2-18(34)32-33-39(36,37)19-6-4-14(38-19)11-31-21(35)12-3-5-16(27)17(28)8-12;22-15-8-13(21(23,24)25)10-29-19(15)27-7-1-2-17(33)31-32-38(35,36)18-6-4-14(37-18)11-30-20(34)12-3-5-16(26)28-9-12;22-14-9-12(21(23,24)25)10-27-19(14)26-8-2-5-17(33)30-31-38(35,36)18-7-6-13(37-18)11-28-20(34)15-3-1-4-16(32)29-15;22-15-9-12(21(23,24)25)10-28-18(15)26-7-2-4-16(32)30-31-38(34,35)17-6-5-13(37-17)11-29-19(33)14-3-1-8-27-20(14)36;22-15-10-13(21(23,24)25)11-28-19(15)27-9-3-5-17(32)30-31-37(34,35)18-7-6-14(36-18)12-29-20(33)16-4-1-2-8-26-16/h3-6,8-10,33H,1-2,7,11,27-28H2,(H,29,30)(H,31,35)(H,32,34);3-6,8-10,32H,1-2,7,11H2,(H2,26,28)(H,27,29)(H,30,34)(H,31,33);1,3-4,6-7,9-10,31H,2,5,8,11H2,(H,26,27)(H,28,34)(H,29,32)(H,30,33);1,3,5-6,8-10,31H,2,4,7,11H2,(H,26,28)(H,27,36)(H,29,33)(H,30,32);1-2,4,6-8,10-11,31H,3,5,9,12H2,(H,27,28)(H,29,33)(H,30,32)
InChIKeyDGSPZHSSQNBLFY-UHFFFAOYSA-N
MW2977.17 g/mol
LogP16.02
Rot. Bonds55

About 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide

6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide (PubChem CID 173255995) has the molecular formula C106H104Cl5F15N32O21S11 and a molecular weight of 2977.17 g/mol. Its IUPAC name is 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide
PubChem CID173255995
Molecular FormulaC106H104Cl5F15N32O21S11
Molecular Weight2977.17 g/mol
Exact Mass2972.32
IUPAC Name6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide
SMILESNc1ccc(C(=O)NCc2ccc(S(=O)(=O)NNC(=O)CCCNc3ncc(C(F)(F)F)cc3Cl)s2)cc1N.Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)NNC(=O)CCCNc3ncc(C(F)(F)F)cc3Cl)s2)cn1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=S)s1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2cccc(=O)[nH]2)s1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)s1
InChIInChI=1S/C22H23ClF3N7O4S2.C21H21ClF3N7O4S2.C21H20ClF3N6O5S2.C21H20ClF3N6O4S3.C21H20ClF3N6O4S2/c23-15-9-13(22(24,25)26)10-30-20(15)29-7-1-2-18(34)32-33-39(36,37)19-6-4-14(38-19)11-31-21(35)12-3-5-16(27)17(28)8-12;22-15-8-13(21(23,24)25)10-29-19(15)27-7-1-2-17(33)31-32-38(35,36)18-6-4-14(37-18)11-30-20(34)12-3-5-16(26)28-9-12;22-14-9-12(21(23,24)25)10-27-19(14)26-8-2-5-17(33)30-31-38(35,36)18-7-6-13(37-18)11-28-20(34)15-3-1-4-16(32)29-15;22-15-9-12(21(23,24)25)10-28-18(15)26-7-2-4-16(32)30-31-38(34,35)17-6-5-13(37-17)11-29-19(33)14-3-1-8-27-20(14)36;22-15-10-13(21(23,24)25)11-28-19(15)27-9-3-5-17(32)30-31-37(34,35)18-7-6-14(36-18)12-29-20(33)16-4-1-2-8-26-16/h3-6,8-10,33H,1-2,7,11,27-28H2,(H,29,30)(H,31,35)(H,32,34);3-6,8-10,32H,1-2,7,11H2,(H2,26,28)(H,27,29)(H,30,34)(H,31,33);1,3-4,6-7,9-10,31H,2,5,8,11H2,(H,26,27)(H,28,34)(H,29,32)(H,30,33);1,3,5-6,8-10,31H,2,4,7,11H2,(H,26,28)(H,27,36)(H,29,33)(H,30,32);1-2,4,6-8,10-11,31H,3,5,9,12H2,(H,27,28)(H,29,33)(H,30,32)
InChIKeyDGSPZHSSQNBLFY-UHFFFAOYSA-N
XLogP16.02
TPSA798.94 Ų
H-Bond Donors25
H-Bond Acceptors42
Rotatable Bonds55
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002977.17
LogP ≤ 516.02
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-3-phenylpropanamide
CID 11433417
N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide
CID 11342496
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-iodobenzamide
CID 26373720
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 27888885
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27888872
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46592275
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2H-benzotriazole-5-carboxamide
CID 32642523
4-benzoyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide
CID 1473209

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide (CID 173255995) is 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide is Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)NNC(=O)CCCNc3ncc(C(F)(F)F)cc3Cl)s2)cc1N.Nc1ccc(C(=O)NCc2ccc(S(=O)(=O)NNC(=O)CCCNc3ncc(C(F)(F)F)cc3Cl)s2)cn1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2ccc[nH]c2=S)s1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2cccc(=O)[nH]2)s1.O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CNC(=O)c2ccccn2)s1.
What is the InChIKey of 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is DGSPZHSSQNBLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N7O4S2.C21H21ClF3N7O4S2.C21H20ClF3N6O5S2.C21H20ClF3N6O4S3.C21H20ClF3N6O4S2/c23-15-9-13(22(24,25)26)10-30-20(15)29-7-1-2-18(34)32-33-39(36,37)19-6-4-14(38-19)11-31-21(35)12-3-5-16(27)17(28)8-12;22-15-8-13(21(23,24)25)10-29-19(15)27-7-1-2-17(33)31-32-38(35,36)18-6-4-14(37-18)11-30-20(34)12-3-5-16(26)28-9-12;22-14-9-12(21(23,24)25)10-27-19(14)26-8-2-5-17(33)30-31-38(35,36)18-7-6-13(37-18)11-28-20(34)15-3-1-4-16(32)29-15;22-15-9-12(21(23,24)25)10-28-18(15)26-7-2-4-16(32)30-31-38(34,35)17-6-5-13(37-17)11-29-19(33)14-3-1-8-27-20(14)36;22-15-10-13(21(23,24)25)11-28-19(15)27-9-3-5-17(32)30-31-37(34,35)18-7-6-14(36-18)12-29-20(33)16-4-1-2-8-26-16/h3-6,8-10,33H,1-2,7,11,27-28H2,(H,29,30)(H,31,35)(H,32,34);3-6,8-10,32H,1-2,7,11H2,(H2,26,28)(H,27,29)(H,30,34)(H,31,33);1,3-4,6-7,9-10,31H,2,5,8,11H2,(H,26,27)(H,28,34)(H,29,32)(H,30,33);1,3,5-6,8-10,31H,2,4,7,11H2,(H,26,28)(H,27,36)(H,29,33)(H,30,32);1-2,4,6-8,10-11,31H,3,5,9,12H2,(H,27,28)(H,29,33)(H,30,32).
What are the key properties of 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide?
6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 2977.17 g/mol, XLogP of 16.02, 55 rotatable bonds, 25 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-3-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]pyridine-2-carboxamide;N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide;3,4-diamino-N-[[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 173255995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).