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

C19H22N2O3S2 — CID 16935009

IUPAC1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S2/c1-25-17-9-5-6-10-18(17)26(23,24)21-13-11-15(12-14-21)19(22)20-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyJJOPZAVYHDIYGR-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.45
Rot. Bonds5

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

1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 16935009) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID16935009
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S2/c1-25-17-9-5-6-10-18(17)26(23,24)21-13-11-15(12-14-21)19(22)20-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyJJOPZAVYHDIYGR-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935021
N-(1-benzothiophen-5-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828258
1-(2-methylsulfanylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828269
N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935033
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828284
N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935002
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(2-methylsulfanylphenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828251
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828220
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 16935009) is 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is CSc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is JJOPZAVYHDIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-25-17-9-5-6-10-18(17)26(23,24)21-13-11-15(12-14-21)19(22)20-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22).
What are the key properties of 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 16935009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).