1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

C18H18N4O3S — CID 52998688

IUPAC1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccn2-c2cccnc2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)16-7-5-14(6-8-16)9-11-21-18(23)17-4-2-12-22(17)15-3-1-10-20-13-15/h1-8,10,12-13H,9,11H2,(H,21,23)(H2,19,24,25)
InChIKeyOHVFNUKZHNWUBM-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.49
Rot. Bonds6

About 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 52998688) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID52998688
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccn2-c2cccnc2)cc1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)16-7-5-14(6-8-16)9-11-21-18(23)17-4-2-12-22(17)15-3-1-10-20-13-15/h1-8,10,12-13H,9,11H2,(H,21,23)(H2,19,24,25)
InChIKeyOHVFNUKZHNWUBM-UHFFFAOYSA-N
XLogP1.49
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 60604256
N-[2-(furan-2-yl)ethyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53024393
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
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3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53004624
4-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
CID 4718104
1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide
CID 53054891
N-[(2R)-2-phenylpropyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 93055498
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (CID 52998688) is 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccn2-c2cccnc2)cc1.
What is the InChIKey of 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is OHVFNUKZHNWUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(24,25)16-7-5-14(6-8-16)9-11-21-18(23)17-4-2-12-22(17)15-3-1-10-20-13-15/h1-8,10,12-13H,9,11H2,(H,21,23)(H2,19,24,25).
What are the key properties of 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 52998688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).