1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

C20H21N3O3S — CID 52563431

IUPAC1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccn2Cc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)18-10-8-16(9-11-18)12-13-22-20(24)19-7-4-14-23(19)15-17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,22,24)(H2,21,25,26)
InChIKeyBGAFMDIPZNYSPN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.16
Rot. Bonds7

About 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide

1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 52563431) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID52563431
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccn2Cc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)18-10-8-16(9-11-18)12-13-22-20(24)19-7-4-14-23(19)15-17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,22,24)(H2,21,25,26)
InChIKeyBGAFMDIPZNYSPN-UHFFFAOYSA-N
XLogP2.16
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 60604256
1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52998688
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
CID 62665454
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108516978
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]imidazole-4-carboxamide
CID 103511158
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
N-(2-acetamidoethyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 51104098

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide (CID 52563431) is 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is BGAFMDIPZNYSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c21-27(25,26)18-10-8-16(9-11-18)12-13-22-20(24)19-7-4-14-23(19)15-17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,22,24)(H2,21,25,26).
What are the key properties of 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide?
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 52563431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).