1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide

C16H17N5O3S — CID 166186064

IUPAC1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)c2cc(S(N)(=O)=O)cn2C)[nH]1
InChIInChI=1S/C16H17N5O3S/c1-10-8-18-15(19-10)12-5-3-4-6-13(12)20-16(22)14-7-11(9-21(14)2)25(17,23)24/h3-9H,1-2H3,(H,18,19)(H,20,22)(H2,17,23,24)
InChIKeyHOMLNOVTABYRAE-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.62
Rot. Bonds4

About 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide

1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 166186064) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide
PubChem CID166186064
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)c2cc(S(N)(=O)=O)cn2C)[nH]1
InChIInChI=1S/C16H17N5O3S/c1-10-8-18-15(19-10)12-5-3-4-6-13(12)20-16(22)14-7-11(9-21(14)2)25(17,23)24/h3-9H,1-2H3,(H,18,19)(H,20,22)(H2,17,23,24)
InChIKeyHOMLNOVTABYRAE-UHFFFAOYSA-N
XLogP1.62
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2-thiazole-4-carboxamide
CID 166366294
4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 167790330
5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide
CID 167918709
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-(2-chlorophenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17425555
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55452760
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055
N-[3-(diethylcarbamoyl)phenyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 31518280
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]propanoic acid
CID 16779987
N-[2-(ethoxymethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 86821808
1-methyl-N-[2-(N-methylanilino)phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55778849

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide (CID 166186064) is 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide is Cc1cnc(-c2ccccc2NC(=O)c2cc(S(N)(=O)=O)cn2C)[nH]1.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is HOMLNOVTABYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10-8-18-15(19-10)12-5-3-4-6-13(12)20-16(22)14-7-11(9-21(14)2)25(17,23)24/h3-9H,1-2H3,(H,18,19)(H,20,22)(H2,17,23,24).
What are the key properties of 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide?
1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 166186064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).