N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C85H76F3N11O14S4 — CID 88919817

IUPACN-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)c2ccc(CN(Cc3ccc(S(=O)(=O)c4ccc(OC)cc4C(F)(F)F)cc3)C(=O)c3cc4ccncc4o3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)c1cnc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C40H35F3N2O8S2.C26H26N4O3S.C19H15N5O3S/c1-3-4-21-52-30-9-16-33(17-10-30)54(47,48)32-12-5-27(6-13-32)25-45(39(46)36-22-29-19-20-44-24-37(29)53-36)26-28-7-14-34(15-8-28)55(49,50)38-18-11-31(51-2)23-35(38)40(41,42)43;31-25(22-17-29-26-27-14-15-30(26)18-22)28-16-19-6-10-23(11-7-19)34(32,33)24-12-8-21(9-13-24)20-4-2-1-3-5-20;25-18(15-11-23-19-21-8-9-24(19)13-15)22-10-14-3-5-16(6-4-14)28(26,27)17-2-1-7-20-12-17/h5-20,22-24H,3-4,21,25-26H2,1-2H3;6-15,17-18,20H,1-5,16H2,(H,28,31);1-9,11-13H,10H2,(H,22,25)
InChIKeyGGPPKRNFAZBUCF-UHFFFAOYSA-N
MW1660.87 g/mol
LogP14.97
Rot. Bonds25

About N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 88919817) has the molecular formula C85H76F3N11O14S4 and a molecular weight of 1660.87 g/mol. Its IUPAC name is N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID88919817
Molecular FormulaC85H76F3N11O14S4
Molecular Weight1660.87 g/mol
Exact Mass1659.44
IUPAC NameN-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)c2ccc(CN(Cc3ccc(S(=O)(=O)c4ccc(OC)cc4C(F)(F)F)cc3)C(=O)c3cc4ccncc4o3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)c1cnc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C40H35F3N2O8S2.C26H26N4O3S.C19H15N5O3S/c1-3-4-21-52-30-9-16-33(17-10-30)54(47,48)32-12-5-27(6-13-32)25-45(39(46)36-22-29-19-20-44-24-37(29)53-36)26-28-7-14-34(15-8-28)55(49,50)38-18-11-31(51-2)23-35(38)40(41,42)43;31-25(22-17-29-26-27-14-15-30(26)18-22)28-16-19-6-10-23(11-7-19)34(32,33)24-12-8-21(9-13-24)20-4-2-1-3-5-20;25-18(15-11-23-19-21-8-9-24(19)13-15)22-10-14-3-5-16(6-4-14)28(26,27)17-2-1-7-20-12-17/h5-20,22-24H,3-4,21,25-26H2,1-2H3;6-15,17-18,20H,1-5,16H2,(H,28,31);1-9,11-13H,10H2,(H,22,25)
InChIKeyGGPPKRNFAZBUCF-UHFFFAOYSA-N
XLogP14.97
TPSA332.83 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.87
LogP ≤ 514.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 88919817) is N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is CCCCOc1ccc(S(=O)(=O)c2ccc(CN(Cc3ccc(S(=O)(=O)c4ccc(OC)cc4C(F)(F)F)cc3)C(=O)c3cc4ccncc4o3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)c1cnc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is GGPPKRNFAZBUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35F3N2O8S2.C26H26N4O3S.C19H15N5O3S/c1-3-4-21-52-30-9-16-33(17-10-30)54(47,48)32-12-5-27(6-13-32)25-45(39(46)36-22-29-19-20-44-24-37(29)53-36)26-28-7-14-34(15-8-28)55(49,50)38-18-11-31(51-2)23-35(38)40(41,42)43;31-25(22-17-29-26-27-14-15-30(26)18-22)28-16-19-6-10-23(11-7-19)34(32,33)24-12-8-21(9-13-24)20-4-2-1-3-5-20;25-18(15-11-23-19-21-8-9-24(19)13-15)22-10-14-3-5-16(6-4-14)28(26,27)17-2-1-7-20-12-17/h5-20,22-24H,3-4,21,25-26H2,1-2H3;6-15,17-18,20H,1-5,16H2,(H,28,31);1-9,11-13H,10H2,(H,22,25).
What are the key properties of N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 1660.87 g/mol, XLogP of 14.97, 25 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 88919817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).