tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

C83H92F10N12O12S3 — CID 165059341

IUPACtert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCC(C)(C)OC(=O)CCNC1CCC1.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N(CCC(=O)O)C3CCC3)n2)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N(CCC(=O)OC(C)(C)C)C3CCC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C29H33F3N4O4S.C25H25F3N4O4S.C18H13F4N3O2S.C11H21NO2/c1-19-9-5-6-12-21(19)27-22(29(30,31)32)15-16-23(33-27)35-41(38,39)25-14-8-13-24(34-25)36(20-10-7-11-20)18-17-26(37)40-28(2,3)4;1-16-6-2-3-9-18(16)24-19(25(26,27)28)12-13-20(29-24)31-37(35,36)22-11-5-10-21(30-22)32(15-14-23(33)34)17-7-4-8-17;1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-11(2,3)14-10(13)7-8-12-9-5-4-6-9/h5-6,8-9,12-16,20H,7,10-11,17-18H2,1-4H3,(H,33,35);2-3,5-6,9-13,17H,4,7-8,14-15H2,1H3,(H,29,31)(H,33,34);2-10H,1H3,(H,24,25);9,12H,4-8H2,1-3H3
InChIKeyQYDUCOQOKIOIGL-UHFFFAOYSA-N
MW1735.90 g/mol
LogP17.74
Rot. Bonds26

About tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide

tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 165059341) has the molecular formula C83H92F10N12O12S3 and a molecular weight of 1735.90 g/mol. Its IUPAC name is tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Nametert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID165059341
Molecular FormulaC83H92F10N12O12S3
Molecular Weight1735.90 g/mol
Exact Mass1734.60
IUPAC Nametert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESCC(C)(C)OC(=O)CCNC1CCC1.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N(CCC(=O)O)C3CCC3)n2)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N(CCC(=O)OC(C)(C)C)C3CCC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C29H33F3N4O4S.C25H25F3N4O4S.C18H13F4N3O2S.C11H21NO2/c1-19-9-5-6-12-21(19)27-22(29(30,31)32)15-16-23(33-27)35-41(38,39)25-14-8-13-24(34-25)36(20-10-7-11-20)18-17-26(37)40-28(2,3)4;1-16-6-2-3-9-18(16)24-19(25(26,27)28)12-13-20(29-24)31-37(35,36)22-11-5-10-21(30-22)32(15-14-23(33)34)17-7-4-8-17;1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-11(2,3)14-10(13)7-8-12-9-5-4-6-9/h5-6,8-9,12-16,20H,7,10-11,17-18H2,1-4H3,(H,33,35);2-3,5-6,9-13,17H,4,7-8,14-15H2,1H3,(H,29,31)(H,33,34);2-10H,1H3,(H,24,25);9,12H,4-8H2,1-3H3
InChIKeyQYDUCOQOKIOIGL-UHFFFAOYSA-N
XLogP17.74
TPSA324.26 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.90
LogP ≤ 517.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]piperazine-2-carboxylic acid
CID 134306490
(2S)-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]piperazine-2-carboxylic acid
CID 134306551
(2R)-4-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]piperazine-2-carboxylic acid
CID 134306558
(2R)-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]piperazine-2-carboxylic acid
CID 134308301
3-[4-Fluoro-20,20-dioxo-25-(trifluoromethyl)-20lambda6-thia-14,21,26,27-tetrazatetracyclo[20.3.1.115,19.02,7]heptacosa-1(25),2(7),3,5,15(27),16,18,22(26),23-nonaen-14-yl]propanoic acid
CID 146827915
3-[4-Fluoro-19,19-dioxo-24-(trifluoromethyl)-19lambda6-thia-13,20,25,26-tetrazatetracyclo[19.3.1.114,18.02,7]hexacosa-1(24),2(7),3,5,14(26),15,17,21(25),22-nonaen-13-yl]-2,2-dimethylpropanoic acid
CID 153618142
3-[4-Fluoro-19,19-dioxo-24-(trifluoromethyl)-19lambda6-thia-13,20,25,26-tetrazatetracyclo[19.3.1.114,18.02,7]hexacosa-1(24),2(7),3,5,14(26),15,17,21(25),22-nonaen-13-yl]propanoic acid
CID 153618194
3-[[6-[[6-(2-Methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]-propan-2-ylamino]propanoic acid
CID 154674651
3-[[6-[[6-(5-Fluoro-2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]-(2-methylpropyl)amino]propanoic acid
CID 154674667
3-[Butyl-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]amino]propanoic acid
CID 154674670
Tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate
CID 154674672
3-[Ethyl-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]pyridin-2-yl]amino]propanoic acid
CID 154674674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 165059341) is tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is CC(C)(C)OC(=O)CCNC1CCC1.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N(CCC(=O)O)C3CCC3)n2)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N(CCC(=O)OC(C)(C)C)C3CCC3)n2)ccc1C(F)(F)F.
What is the InChIKey of tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is QYDUCOQOKIOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O4S.C25H25F3N4O4S.C18H13F4N3O2S.C11H21NO2/c1-19-9-5-6-12-21(19)27-22(29(30,31)32)15-16-23(33-27)35-41(38,39)25-14-8-13-24(34-25)36(20-10-7-11-20)18-17-26(37)40-28(2,3)4;1-16-6-2-3-9-18(16)24-19(25(26,27)28)12-13-20(29-24)31-37(35,36)22-11-5-10-21(30-22)32(15-14-23(33)34)17-7-4-8-17;1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-11(2,3)14-10(13)7-8-12-9-5-4-6-9/h5-6,8-9,12-16,20H,7,10-11,17-18H2,1-4H3,(H,33,35);2-3,5-6,9-13,17H,4,7-8,14-15H2,1H3,(H,29,31)(H,33,34);2-10H,1H3,(H,24,25);9,12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 1735.90 g/mol, XLogP of 17.74, 26 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclobutylamino)propanoate;tert-butyl 3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoate;3-[cyclobutyl-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]propanoic acid;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 165059341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).