1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide

C18H23N3O3S — CID 53087280

IUPAC1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3)n(C)c2)CC1
InChIInChI=1S/C18H23N3O3S/c1-14-8-10-21(11-9-14)25(23,24)16-12-17(20(2)13-16)18(22)19-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)
InChIKeyKMXOGLBMULAODQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.70
Rot. Bonds4

About 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide

1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide (PubChem CID 53087280) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
PubChem CID53087280
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3)n(C)c2)CC1
InChIInChI=1S/C18H23N3O3S/c1-14-8-10-21(11-9-14)25(23,24)16-12-17(20(2)13-16)18(22)19-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,22)
InChIKeyKMXOGLBMULAODQ-UHFFFAOYSA-N
XLogP2.70
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087257
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 22576668
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrole-2-carboxamide
CID 53087272
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(3,5-dimethylphenyl)-1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 95074371

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide (CID 53087280) is 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide is CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3)n(C)c2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide?
The InChIKey is KMXOGLBMULAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-8-10-21(11-9-14)25(23,24)16-12-17(20(2)13-16)18(22)19-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide?
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 53087280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).