4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

C20H24N2O3S2 — CID 24731921

IUPAC4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H24N2O3S2/c1-15-7-9-16(10-8-15)27(24,25)17-11-13-22(14-12-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,17H,11-14H2,1-2H3,(H,21,23)
InChIKeyOPFHLPHRIPXCPB-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.19
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 24731921) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID24731921
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H24N2O3S2/c1-15-7-9-16(10-8-15)27(24,25)17-11-13-22(14-12-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,17H,11-14H2,1-2H3,(H,21,23)
InChIKeyOPFHLPHRIPXCPB-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylphenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24731073
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24731076
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
N-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 17299399
1-methyl-4-(4-methylphenyl)sulfonylpiperidine
CID 71189168
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
(4S)-4-amino-N-[2-[(4-methylphenyl)methylsulfanyl]phenyl]azepane-1-carboxamide
CID 125173543

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide (CID 24731921) is 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide is CSc1ccccc1NC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is OPFHLPHRIPXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-15-7-9-16(10-8-15)27(24,25)17-11-13-22(14-12-17)20(23)21-18-5-3-4-6-19(18)26-2/h3-10,17H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 24731921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).