2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide

C18H19N3O3S — CID 100798933

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-2-21(25(23,24)17-6-4-3-5-7-17)14-18(22)20-16-10-8-15(9-11-16)12-13-19/h3-11H,2,12,14H2,1H3,(H,20,22)
InChIKeyCJRSGFMEBXSTTD-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.40
Rot. Bonds7

About 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide

2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 100798933) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID100798933
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-2-21(25(23,24)17-6-4-3-5-7-17)14-18(22)20-16-10-8-15(9-11-16)12-13-19/h3-11H,2,12,14H2,1H3,(H,20,22)
InChIKeyCJRSGFMEBXSTTD-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100798669
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1137059
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797095
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278367
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797716
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1288778
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
ethyl 2-[[4-(cyanomethyl)phenyl]sulfonyl-ethylamino]acetate
CID 79186503
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100798057

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide (CID 100798933) is 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is CJRSGFMEBXSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-21(25(23,24)17-6-4-3-5-7-17)14-18(22)20-16-10-8-15(9-11-16)12-13-19/h3-11H,2,12,14H2,1H3,(H,20,22).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 100798933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).