N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C23H30N2O3S — CID 1339263

IUPACN-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H30N2O3S/c1-17-6-9-21(10-7-17)29(27,28)25(22-15-19(3)5-8-20(22)4)16-23(26)24-13-11-18(2)12-14-24/h5-10,15,18H,11-14,16H2,1-4H3
InChIKeySOHGVBXZVWGGSV-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.07
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1339263) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1339263
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H30N2O3S/c1-17-6-9-21(10-7-17)29(27,28)25(22-15-19(3)5-8-20(22)4)16-23(26)24-13-11-18(2)12-14-24/h5-10,15,18H,11-14,16H2,1-4H3
InChIKeySOHGVBXZVWGGSV-UHFFFAOYSA-N
XLogP4.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide 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

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1139820
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94028182
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 1095213
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
CID 53281969
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 51343226
N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
ethyl 4-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]piperazine-1-carboxylate
CID 92663813

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1339263) is N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is SOHGVBXZVWGGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-6-9-21(10-7-17)29(27,28)25(22-15-19(3)5-8-20(22)4)16-23(26)24-13-11-18(2)12-14-24/h5-10,15,18H,11-14,16H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1339263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).