N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H30N2O4S — CID 1452390

IUPACN-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-26-18-7-9-19(10-8-18)27(24,25)22-13-11-17(12-14-22)20(23)21-15-16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-15H2,1H3,(H,21,23)
InChIKeyQSWQUWQHNQGTJC-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.79
Rot. Bonds6

About N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1452390) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1452390
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-26-18-7-9-19(10-8-18)27(24,25)22-13-11-17(12-14-22)20(23)21-15-16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-15H2,1H3,(H,21,23)
InChIKeyQSWQUWQHNQGTJC-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1452390) is N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QSWQUWQHNQGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-26-18-7-9-19(10-8-18)27(24,25)22-13-11-17(12-14-22)20(23)21-15-16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-15H2,1H3,(H,21,23).
What are the key properties of N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1452390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).