2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide

C23H24N2O3S — CID 2681375

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C23H24N2O3S/c26-23(24-17-16-20-10-4-1-5-11-20)19-25(18-21-12-6-2-7-13-21)29(27,28)22-14-8-3-9-15-22/h1-15H,16-19H2,(H,24,26)
InChIKeyCQMHFCMXSBBFCS-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.24
Rot. Bonds9

About 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 2681375) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID2681375
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C23H24N2O3S/c26-23(24-17-16-20-10-4-1-5-11-20)19-25(18-21-12-6-2-7-13-21)29(27,28)22-14-8-3-9-15-22/h1-15H,16-19H2,(H,24,26)
InChIKeyCQMHFCMXSBBFCS-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100799790
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-butylacetamide
CID 126066266
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2264008
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
CID 126396038
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 2204806

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide (CID 2681375) is 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is CQMHFCMXSBBFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c26-23(24-17-16-20-10-4-1-5-11-20)19-25(18-21-12-6-2-7-13-21)29(27,28)22-14-8-3-9-15-22/h1-15H,16-19H2,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2681375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).