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

C20H30N2O3S — CID 17486918

IUPACN-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O3S/c1-15-8-9-19(16(2)14-15)26(24,25)22-12-10-17(11-13-22)20(23)21-18-6-4-3-5-7-18/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,21,23)
InChIKeyMEBNHJBJWQLGKJ-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.15
Rot. Bonds4

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

N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 17486918) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID17486918
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1
InChIInChI=1S/C20H30N2O3S/c1-15-8-9-19(16(2)14-15)26(24,25)22-12-10-17(11-13-22)20(23)21-18-6-4-3-5-7-18/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,21,23)
InChIKeyMEBNHJBJWQLGKJ-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 17486918) is N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MEBNHJBJWQLGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15-8-9-19(16(2)14-15)26(24,25)22-12-10-17(11-13-22)20(23)21-18-6-4-3-5-7-18/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17486918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).