4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide

C20H24N2O2S — CID 132943058

IUPAC4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide
SMILESCc1ccc(C(=O)N=S(=O)(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16-6-10-18(11-7-16)20(23)21-25(24,22-14-4-3-5-15-22)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3
InChIKeyZEWKBZIDMSGHNF-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.37
Rot. Bonds3

About 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide

4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide (PubChem CID 132943058) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide
PubChem CID132943058
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide
SMILESCc1ccc(C(=O)N=S(=O)(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-16-6-10-18(11-7-16)20(23)21-25(24,22-14-4-3-5-15-22)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3
InChIKeyZEWKBZIDMSGHNF-UHFFFAOYSA-N
XLogP4.37
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
methylidene-(4-methylphenyl)-oxo-pyrrolidin-1-yl-λ6-sulfane
CID 143971562
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
(4-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557835
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
(4-methylphenyl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2556899
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide
CID 16804331
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide (CID 132943058) is 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide is Cc1ccc(C(=O)N=S(=O)(c2ccc(C)cc2)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide?
The InChIKey is ZEWKBZIDMSGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16-6-10-18(11-7-16)20(23)21-25(24,22-14-4-3-5-15-22)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide?
4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide is sourced from PubChem (CID 132943058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).