N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H26N2O4S — CID 1077703

IUPACN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-3-9-20(10-4-16)28(25,26)23-13-11-18(12-14-23)21(24)22-15-17-5-7-19(27-2)8-6-17/h3-10,18H,11-15H2,1-2H3,(H,22,24)
InChIKeyAVZMVUCMJJDENF-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.72
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1077703) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1077703
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-3-9-20(10-4-16)28(25,26)23-13-11-18(12-14-23)21(24)22-15-17-5-7-19(27-2)8-6-17/h3-10,18H,11-15H2,1-2H3,(H,22,24)
InChIKeyAVZMVUCMJJDENF-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1077703) is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AVZMVUCMJJDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-3-9-20(10-4-16)28(25,26)23-13-11-18(12-14-23)21(24)22-15-17-5-7-19(27-2)8-6-17/h3-10,18H,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1077703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).