N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide

C24H29N3O4S — CID 16804331

IUPACN-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide
SMILESCc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-19-7-11-21(12-8-19)27(24(29)25-15-3-2-4-16-25)23(28)20-9-13-22(14-10-20)32(30,31)26-17-5-6-18-26/h7-14H,2-6,15-18H2,1H3
InChIKeyRBJFSGZLZZNDLN-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.03
Rot. Bonds4

About N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide

N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide (PubChem CID 16804331) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide
PubChem CID16804331
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide
SMILESCc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-19-7-11-21(12-8-19)27(24(29)25-15-3-2-4-16-25)23(28)20-9-13-22(14-10-20)32(30,31)26-17-5-6-18-26/h7-14H,2-6,15-18H2,1H3
InChIKeyRBJFSGZLZZNDLN-UHFFFAOYSA-N
XLogP4.03
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide (CID 16804331) is N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide is Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide?
The InChIKey is RBJFSGZLZZNDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-19-7-11-21(12-8-19)27(24(29)25-15-3-2-4-16-25)23(28)20-9-13-22(14-10-20)32(30,31)26-17-5-6-18-26/h7-14H,2-6,15-18H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide?
N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 16804331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).