N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C19H28N2O3S — CID 26697387

IUPACN-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C19H28N2O3S/c1-14-7-8-18(15(2)13-14)25(23,24)21-11-9-16(10-12-21)19(22)20-17-5-3-4-6-17/h7-8,13,16-17H,3-6,9-12H2,1-2H3,(H,20,22)
InChIKeyDOBDVPZNHSSXOD-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.76
Rot. Bonds4

About N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26697387) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26697387
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C19H28N2O3S/c1-14-7-8-18(15(2)13-14)25(23,24)21-11-9-16(10-12-21)19(22)20-17-5-3-4-6-17/h7-8,13,16-17H,3-6,9-12H2,1-2H3,(H,20,22)
InChIKeyDOBDVPZNHSSXOD-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 26697387) is N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DOBDVPZNHSSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14-7-8-18(15(2)13-14)25(23,24)21-11-9-16(10-12-21)19(22)20-17-5-3-4-6-17/h7-8,13,16-17H,3-6,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26697387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).