2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

C24H25ClN2O3S — CID 28543198

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-19(21-12-14-22(25)15-13-21)26-24(28)18-27(17-16-20-8-4-2-5-9-20)31(29,30)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyLBGYLJCRKKCDMO-IBGZPJMESA-N
MW457.00 g/mol
LogP4.45
Rot. Bonds9

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 28543198) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
PubChem CID28543198
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-19(21-12-14-22(25)15-13-21)26-24(28)18-27(17-16-20-8-4-2-5-9-20)31(29,30)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,26,28)/t19-/m0/s1
InChIKeyLBGYLJCRKKCDMO-IBGZPJMESA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28543745
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28543780
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544127
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872467
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(2R)-butan-2-yl]acetamide
CID 92517973
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide (CID 28543198) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is LBGYLJCRKKCDMO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-19(21-12-14-22(25)15-13-21)26-24(28)18-27(17-16-20-8-4-2-5-9-20)31(29,30)23-10-6-3-7-11-23/h2-15,19H,16-18H2,1H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 457.00 g/mol, XLogP of 4.45, 9 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-[(1S)-1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 28543198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).