2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide

C24H26N2O4S — CID 30303626

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-23-12-8-7-9-20(23)17-25-24(27)18-26(21-15-13-19(2)14-16-21)31(28,29)22-10-5-4-6-11-22/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeySEBDDBDZULDPLW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.91
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 30303626) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID30303626
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-3-30-23-12-8-7-9-20(23)17-25-24(27)18-26(21-15-13-19(2)14-16-21)31(28,29)22-10-5-4-6-11-22/h4-16H,3,17-18H2,1-2H3,(H,25,27)
InChIKeySEBDDBDZULDPLW-UHFFFAOYSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30304171
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 99943384
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51344460
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30273811
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1339603
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 38009374
N-[(2-methoxyphenyl)methyl]-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 26564448
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide (CID 30303626) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is SEBDDBDZULDPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-30-23-12-8-7-9-20(23)17-25-24(27)18-26(21-15-13-19(2)14-16-21)31(28,29)22-10-5-4-6-11-22/h4-16H,3,17-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30303626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).