2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide

C24H25ClN2O3S — CID 30038177

IUPAC2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-19(21-10-6-3-7-11-21)26-24(28)18-27(17-16-20-8-4-2-5-9-20)31(29,30)23-14-12-22(25)13-15-23/h2-15,19H,16-18H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyKHXIMJRRGZQRNR-LJQANCHMSA-N
MW457.00 g/mol
LogP4.45
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 30038177) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID30038177
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S/c1-19(21-10-6-3-7-11-21)26-24(28)18-27(17-16-20-8-4-2-5-9-20)31(29,30)23-14-12-22(25)13-15-23/h2-15,19H,16-18H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyKHXIMJRRGZQRNR-LJQANCHMSA-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-[benzenesulfonyl(2-phenylethyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543198
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
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
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-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 42699557
N-[1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 43871726
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861136

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide (CID 30038177) is 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is KHXIMJRRGZQRNR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-19(21-10-6-3-7-11-21)26-24(28)18-27(17-16-20-8-4-2-5-9-20)31(29,30)23-14-12-22(25)13-15-23/h2-15,19H,16-18H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]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-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 30038177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).