4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide

C24H29N3O4S — CID 17484073

IUPAC4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H29N3O4S/c1-18-7-10-20(16-22(18)32(30,31)26-13-3-2-4-14-26)24(29)25-17-19-8-11-21(12-9-19)27-15-5-6-23(27)28/h7-12,16H,2-6,13-15,17H2,1H3,(H,25,29)
InChIKeyTXJSNTJCEFRUBZ-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.23
Rot. Bonds6

About 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 17484073) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID17484073
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H29N3O4S/c1-18-7-10-20(16-22(18)32(30,31)26-13-3-2-4-14-26)24(29)25-17-19-8-11-21(12-9-19)27-15-5-6-23(27)28/h7-12,16H,2-6,13-15,17H2,1H3,(H,25,29)
InChIKeyTXJSNTJCEFRUBZ-UHFFFAOYSA-N
XLogP3.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 24504087
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
3-methyl-4-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588443
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46486188
N-benzyl-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875478

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 17484073) is 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is TXJSNTJCEFRUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-18-7-10-20(16-22(18)32(30,31)26-13-3-2-4-14-26)24(29)25-17-19-8-11-21(12-9-19)27-15-5-6-23(27)28/h7-12,16H,2-6,13-15,17H2,1H3,(H,25,29).
What are the key properties of 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 455.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17484073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).