2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide

C24H26N2O3S — CID 1123794

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-19-10-9-11-20(2)24(19)25-23(27)18-26(17-16-21-12-5-3-6-13-21)30(28,29)22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyOBAJKNKMWNHESH-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.18
Rot. Bonds8

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 1123794) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID1123794
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-19-10-9-11-20(2)24(19)25-23(27)18-26(17-16-21-12-5-3-6-13-21)30(28,29)22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3,(H,25,27)
InChIKeyOBAJKNKMWNHESH-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide
CID 45374448
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 28543265
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide (CID 1123794) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is OBAJKNKMWNHESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19-10-9-11-20(2)24(19)25-23(27)18-26(17-16-21-12-5-3-6-13-21)30(28,29)22-14-7-4-8-15-22/h3-15H,16-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 1123794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).