N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C20H24N2O3S2 — CID 16935033

IUPACN-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCSc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S2/c1-21(17-8-4-3-5-9-17)20(23)16-12-14-22(15-13-16)27(24,25)19-11-7-6-10-18(19)26-2/h3-11,16H,12-15H2,1-2H3
InChIKeyAHHOYUJNDFADHR-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 16935033) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID16935033
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCSc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S2/c1-21(17-8-4-3-5-9-17)20(23)16-12-14-22(15-13-16)27(24,25)19-11-7-6-10-18(19)26-2/h3-11,16H,12-15H2,1-2H3
InChIKeyAHHOYUJNDFADHR-UHFFFAOYSA-N
XLogP3.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 16935033) is N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is CSc1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is AHHOYUJNDFADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-21(17-8-4-3-5-9-17)20(23)16-12-14-22(15-13-16)27(24,25)19-11-7-6-10-18(19)26-2/h3-11,16H,12-15H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 16935033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).