N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide

C20H24N2O3S — CID 3812876

IUPACN-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-7-9-17(10-8-16)15-26(24,25)21-20(23)22-13-11-19(12-14-22)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,21,23)
InChIKeyUPXYOTOKCPASHQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.41
Rot. Bonds4

About N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide

N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 3812876) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide
PubChem CID3812876
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-7-9-17(10-8-16)15-26(24,25)21-20(23)22-13-11-19(12-14-22)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,21,23)
InChIKeyUPXYOTOKCPASHQ-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide (CID 3812876) is N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide is Cc1ccc(CS(=O)(=O)NC(=O)N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is UPXYOTOKCPASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-7-9-17(10-8-16)15-26(24,25)21-20(23)22-13-11-19(12-14-22)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide?
N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylsulfonyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3812876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).