N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C21H26N2O3S2 — CID 1106328

IUPACN-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3S2/c1-17-6-8-18(9-7-17)23(16-21(24)22-14-4-3-5-15-22)28(25,26)20-12-10-19(27-2)11-13-20/h6-13H,3-5,14-16H2,1-2H3
InChIKeyHTJUGTZJSMHJNA-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.92
Rot. Bonds6

About N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 1106328) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID1106328
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC NameN-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3S2/c1-17-6-8-18(9-7-17)23(16-21(24)22-14-4-3-5-15-22)28(25,26)20-12-10-19(27-2)11-13-20/h6-13H,3-5,14-16H2,1-2H3
InChIKeyHTJUGTZJSMHJNA-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 999977
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 2897363
N-(4-fluorophenyl)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1009849
N-[4-(azepane-1-carbonyl)phenyl]-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 28591584
N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 126029990
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 2260812
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 2230154
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 1106328) is N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is CSc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is HTJUGTZJSMHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c1-17-6-8-18(9-7-17)23(16-21(24)22-14-4-3-5-15-22)28(25,26)20-12-10-19(27-2)11-13-20/h6-13H,3-5,14-16H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 418.58 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1106328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).