N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C18H19N3O3S — CID 113151892

IUPACN-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-25(23,24)21(12-11-15-5-3-2-4-6-15)14-18(22)20-17-9-7-16(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
InChIKeyJFGZWYOCEPELDH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.00
Rot. Bonds7

About N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 113151892) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID113151892
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-25(23,24)21(12-11-15-5-3-2-4-6-15)14-18(22)20-17-9-7-16(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
InChIKeyJFGZWYOCEPELDH-UHFFFAOYSA-N
XLogP2.00
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152253
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 21373045
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 113151892) is N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is JFGZWYOCEPELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-25(23,24)21(12-11-15-5-3-2-4-6-15)14-18(22)20-17-9-7-16(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 113151892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).