N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C20H24N2O4S — CID 2981985

IUPACN-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-11-19(12-10-18)27(24,25)22-13-5-8-17(15-22)20(23)21-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,21,23)
InChIKeyCSYKNUHKRTVSAR-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 2981985) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID2981985
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O4S/c1-26-18-9-11-19(12-10-18)27(24,25)22-13-5-8-17(15-22)20(23)21-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,21,23)
InChIKeyCSYKNUHKRTVSAR-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 2981985) is N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is CSYKNUHKRTVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-18-9-11-19(12-10-18)27(24,25)22-13-5-8-17(15-22)20(23)21-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2981985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).