2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide

C23H21N3O3S — CID 100789747

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O3S/c24-17-20-10-7-11-21(16-20)25-23(27)18-26(15-14-19-8-3-1-4-9-19)30(28,29)22-12-5-2-6-13-22/h1-13,16H,14-15,18H2,(H,25,27)
InChIKeyZQCQXHCMHYNOKY-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.43
Rot. Bonds8

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide (PubChem CID 100789747) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
PubChem CID100789747
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O3S/c24-17-20-10-7-11-21(16-20)25-23(27)18-26(15-14-19-8-3-1-4-9-19)30(28,29)22-12-5-2-6-13-22/h1-13,16H,14-15,18H2,(H,25,27)
InChIKeyZQCQXHCMHYNOKY-UHFFFAOYSA-N
XLogP3.43
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
4-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]amino]benzamide
CID 45374448
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1311794
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 100794127
N-(3-chloro-4-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1331412
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100792586

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide (CID 100789747) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is ZQCQXHCMHYNOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c24-17-20-10-7-11-21(16-20)25-23(27)18-26(15-14-19-8-3-1-4-9-19)30(28,29)22-12-5-2-6-13-22/h1-13,16H,14-15,18H2,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 100789747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).