1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

C17H20N2O3S — CID 2325885

IUPAC1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-11-4-8-15(9-5-11)23(21,22)18-17(20)16-10-12(2)19(13(16)3)14-6-7-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20)
InChIKeyYOBZWQMUBIJQJF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.87
Rot. Bonds4

About 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (PubChem CID 2325885) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
PubChem CID2325885
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C17H20N2O3S/c1-11-4-8-15(9-5-11)23(21,22)18-17(20)16-10-12(2)19(13(16)3)14-6-7-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20)
InChIKeyYOBZWQMUBIJQJF-UHFFFAOYSA-N
XLogP2.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839575
2-[2,5-dimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]pyrrol-1-yl]ethyl-di(propan-2-yl)azanium
CID 2100893
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828192
[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55317019
1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 17489909
N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 75417454
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785485
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101
1-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 71943860
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672628
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (CID 2325885) is 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(C3CC3)c2C)cc1.
What is the InChIKey of 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The InChIKey is YOBZWQMUBIJQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-4-8-15(9-5-11)23(21,22)18-17(20)16-10-12(2)19(13(16)3)14-6-7-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20).
What are the key properties of 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 2325885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).