4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide

C19H23N3O4S — CID 25443905

IUPAC4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H23N3O4S/c1-13-6-7-16(21-19(24)17-10-15(12-20-17)14(2)23)11-18(13)27(25,26)22-8-4-3-5-9-22/h6-7,10-12,20H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeySASFKFVHIBOPQW-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.95
Rot. Bonds5

About 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 25443905) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID25443905
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C19H23N3O4S/c1-13-6-7-16(21-19(24)17-10-15(12-20-17)14(2)23)11-18(13)27(25,26)22-8-4-3-5-9-22/h6-7,10-12,20H,3-5,8-9H2,1-2H3,(H,21,24)
InChIKeySASFKFVHIBOPQW-UHFFFAOYSA-N
XLogP2.95
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1H-pyrrole-2-carboxamide
CID 24502660
4-acetyl-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 9073769
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
4-acetyl-N-(3-chloro-4-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
CID 86830483
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-pyrazol-1-ylbenzamide
CID 25443780
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide (CID 25443905) is 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is SASFKFVHIBOPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-6-7-16(21-19(24)17-10-15(12-20-17)14(2)23)11-18(13)27(25,26)22-8-4-3-5-9-22/h6-7,10-12,20H,3-5,8-9H2,1-2H3,(H,21,24).
What are the key properties of 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25443905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).