N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C24H23ClN2O4S — CID 1311794

IUPACN-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClN2O4S/c1-18(28)20-8-5-9-22(16-20)26-24(29)17-27(15-14-19-6-3-2-4-7-19)32(30,31)23-12-10-21(25)11-13-23/h2-13,16H,14-15,17H2,1H3,(H,26,29)
InChIKeyVBCKGYSIANSPLF-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.41
Rot. Bonds9

About N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 1311794) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID1311794
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC NameN-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClN2O4S/c1-18(28)20-8-5-9-22(16-20)26-24(29)17-27(15-14-19-6-3-2-4-7-19)32(30,31)23-12-10-21(25)11-13-23/h2-13,16H,14-15,17H2,1H3,(H,26,29)
InChIKeyVBCKGYSIANSPLF-UHFFFAOYSA-N
XLogP4.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 1329241
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 28543265
N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-ethylphenyl)acetamide
CID 1338968
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790406
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 126011905
4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide
CID 45374448
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 30038177

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 1311794) is N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is CC(=O)c1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is VBCKGYSIANSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-18(28)20-8-5-9-22(16-20)26-24(29)17-27(15-14-19-6-3-2-4-7-19)32(30,31)23-12-10-21(25)11-13-23/h2-13,16H,14-15,17H2,1H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 470.98 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 1311794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).