N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H29N3O4S — CID 3541229

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H29N3O4S/c1-18-8-11-20(17-22(18)32(30,31)26-14-4-2-3-5-15-26)25-24(29)19-9-12-21(13-10-19)27-16-6-7-23(27)28/h8-13,17H,2-7,14-16H2,1H3,(H,25,29)
InChIKeyLFVHHQZMBIQTIV-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.94
Rot. Bonds5

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3541229) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3541229
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H29N3O4S/c1-18-8-11-20(17-22(18)32(30,31)26-14-4-2-3-5-15-26)25-24(29)19-9-12-21(13-10-19)27-16-6-7-23(27)28/h8-13,17H,2-7,14-16H2,1H3,(H,25,29)
InChIKeyLFVHHQZMBIQTIV-UHFFFAOYSA-N
XLogP3.94
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17484073
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
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
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27838215
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 3541229) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LFVHHQZMBIQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-18-8-11-20(17-22(18)32(30,31)26-14-4-2-3-5-15-26)25-24(29)19-9-12-21(13-10-19)27-16-6-7-23(27)28/h8-13,17H,2-7,14-16H2,1H3,(H,25,29).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 455.58 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3541229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).