N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C61H48N10O10S3 — CID 88919598

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2o1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)nc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C21H16N2O4S.2C20H16N4O3S/c24-21(20-13-18-19(27-20)7-4-12-22-18)23-14-15-8-10-17(11-9-15)28(25,26)16-5-2-1-3-6-16;25-20(18-14-24-11-10-21-19(24)13-22-18)23-12-15-6-8-17(9-7-15)28(26,27)16-4-2-1-3-5-16;25-20(18-10-15-13-21-9-8-17(15)24-18)23-12-14-6-7-19(22-11-14)28(26,27)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24);1-11,13-14H,12H2,(H,23,25);1-11,13,24H,12H2,(H,23,25)
InChIKeyMOIADFSVSXHEIK-UHFFFAOYSA-N
MW1177.32 g/mol
LogP8.80
Rot. Bonds15

About N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 88919598) has the molecular formula C61H48N10O10S3 and a molecular weight of 1177.32 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID88919598
Molecular FormulaC61H48N10O10S3
Molecular Weight1177.32 g/mol
Exact Mass1176.27
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2o1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)nc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C21H16N2O4S.2C20H16N4O3S/c24-21(20-13-18-19(27-20)7-4-12-22-18)23-14-15-8-10-17(11-9-15)28(25,26)16-5-2-1-3-6-16;25-20(18-14-24-11-10-21-19(24)13-22-18)23-12-15-6-8-17(9-7-15)28(26,27)16-4-2-1-3-5-16;25-20(18-10-15-13-21-9-8-17(15)24-18)23-12-14-6-7-19(22-11-14)28(26,27)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24);1-11,13-14H,12H2,(H,23,25);1-11,13,24H,12H2,(H,23,25)
InChIKeyMOIADFSVSXHEIK-UHFFFAOYSA-N
XLogP8.80
TPSA287.51 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.32
LogP ≤ 58.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 88919598) is N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ncccc2o1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1.O=C(NCc1ccc(S(=O)(=O)c2ccccc2)nc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is MOIADFSVSXHEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S.2C20H16N4O3S/c24-21(20-13-18-19(27-20)7-4-12-22-18)23-14-15-8-10-17(11-9-15)28(25,26)16-5-2-1-3-6-16;25-20(18-14-24-11-10-21-19(24)13-22-18)23-12-15-6-8-17(9-7-15)28(26,27)16-4-2-1-3-5-16;25-20(18-10-15-13-21-9-8-17(15)24-18)23-12-14-6-7-19(22-11-14)28(26,27)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,24);1-11,13-14H,12H2,(H,23,25);1-11,13,24H,12H2,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 1177.32 g/mol, XLogP of 8.80, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]furo[3,2-b]pyridine-2-carboxamide;N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[6-(benzenesulfonyl)-3-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 88919598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).