N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C68H57F3N8O10S4 — CID 90021112

IUPACN-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H22N2O3S2.C22H16F3N3O3S.C22H19N3O4S/c1-16(2)18-5-9-21(10-6-18)31(28,29)20-7-3-17(4-8-20)14-26-24(27)22-13-19-11-12-25-15-23(19)30-22;23-22(24,25)17-3-1-2-4-20(17)32(30,31)16-7-5-14(6-8-16)12-27-21(29)19-11-15-13-26-10-9-18(15)28-19;1-29-17-4-8-19(9-5-17)30(27,28)18-6-2-15(3-7-18)13-24-22(26)21-12-16-14-23-11-10-20(16)25-21/h3-13,15-16H,14H2,1-2H3,(H,26,27);1-11,13,28H,12H2,(H,27,29);2-12,14,25H,13H2,1H3,(H,24,26)
InChIKeyIHBLWLSTKVUJRA-UHFFFAOYSA-N
MW1331.51 g/mol
LogP12.86
Rot. Bonds17

About N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90021112) has the molecular formula C68H57F3N8O10S4 and a molecular weight of 1331.51 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90021112
Molecular FormulaC68H57F3N8O10S4
Molecular Weight1331.51 g/mol
Exact Mass1330.30
IUPAC NameN-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H22N2O3S2.C22H16F3N3O3S.C22H19N3O4S/c1-16(2)18-5-9-21(10-6-18)31(28,29)20-7-3-17(4-8-20)14-26-24(27)22-13-19-11-12-25-15-23(19)30-22;23-22(24,25)17-3-1-2-4-20(17)32(30,31)16-7-5-14(6-8-16)12-27-21(29)19-11-15-13-26-10-9-18(15)28-19;1-29-17-4-8-19(9-5-17)30(27,28)18-6-2-15(3-7-18)13-24-22(26)21-12-16-14-23-11-10-20(16)25-21/h3-13,15-16H,14H2,1-2H3,(H,26,27);1-11,13,28H,12H2,(H,27,29);2-12,14,25H,13H2,1H3,(H,24,26)
InChIKeyIHBLWLSTKVUJRA-UHFFFAOYSA-N
XLogP12.86
TPSA269.20 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.51
LogP ≤ 512.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90021112) is N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is IHBLWLSTKVUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S2.C22H16F3N3O3S.C22H19N3O4S/c1-16(2)18-5-9-21(10-6-18)31(28,29)20-7-3-17(4-8-20)14-26-24(27)22-13-19-11-12-25-15-23(19)30-22;23-22(24,25)17-3-1-2-4-20(17)32(30,31)16-7-5-14(6-8-16)12-27-21(29)19-11-15-13-26-10-9-18(15)28-19;1-29-17-4-8-19(9-5-17)30(27,28)18-6-2-15(3-7-18)13-24-22(26)21-12-16-14-23-11-10-20(16)25-21/h3-13,15-16H,14H2,1-2H3,(H,26,27);1-11,13,28H,12H2,(H,27,29);2-12,14,25H,13H2,1H3,(H,24,26).
What are the key properties of N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 1331.51 g/mol, XLogP of 12.86, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90021112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).