1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C24H29N3O4S — CID 2997941

IUPAC1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C24H29N3O4S/c1-18-6-2-3-7-22(18)24(29)26-16-12-19(13-17-26)23(28)25-20-8-10-21(11-9-20)32(30,31)27-14-4-5-15-27/h2-3,6-11,19H,4-5,12-17H2,1H3,(H,25,28)
InChIKeyZZBSMXVWYLFQOX-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 2997941) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID2997941
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
InChIInChI=1S/C24H29N3O4S/c1-18-6-2-3-7-22(18)24(29)26-16-12-19(13-17-26)23(28)25-20-8-10-21(11-9-20)32(30,31)27-14-4-5-15-27/h2-3,6-11,19H,4-5,12-17H2,1H3,(H,25,28)
InChIKeyZZBSMXVWYLFQOX-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 2997941) is 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is ZZBSMXVWYLFQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-18-6-2-3-7-22(18)24(29)26-16-12-19(13-17-26)23(28)25-20-8-10-21(11-9-20)32(30,31)27-14-4-5-15-27/h2-3,6-11,19H,4-5,12-17H2,1H3,(H,25,28).
What are the key properties of 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2997941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).