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

C23H30N2O5S — CID 1139820

IUPACN-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H30N2O5S/c1-17-5-8-20(9-6-17)31(27,28)25(16-23(26)24-13-11-18(2)12-14-24)21-15-19(29-3)7-10-22(21)30-4/h5-10,15,18H,11-14,16H2,1-4H3
InChIKeyDXPDCAWUOJCNIA-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.47
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1139820) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1139820
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C23H30N2O5S/c1-17-5-8-20(9-6-17)31(27,28)25(16-23(26)24-13-11-18(2)12-14-24)21-15-19(29-3)7-10-22(21)30-4/h5-10,15,18H,11-14,16H2,1-4H3
InChIKeyDXPDCAWUOJCNIA-UHFFFAOYSA-N
XLogP3.47
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000941
N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1339263
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)benzenesulfonamide
CID 51343508
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43894457
N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 51344252
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1306203
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2899040
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51344352
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 1091470

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1139820) is N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is DXPDCAWUOJCNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-5-8-20(9-6-17)31(27,28)25(16-23(26)24-13-11-18(2)12-14-24)21-15-19(29-3)7-10-22(21)30-4/h5-10,15,18H,11-14,16H2,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 446.57 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1139820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).