2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide

C18H19N3O3S — CID 26943718

IUPAC2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C18H19N3O3S/c1-3-14-8-4-6-10-16(14)20-18(22)13-21(2)25(23,24)17-11-7-5-9-15(17)12-19/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyJZMAOVXBUSRYAD-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.38
Rot. Bonds6

About 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide

2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 26943718) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID26943718
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C18H19N3O3S/c1-3-14-8-4-6-10-16(14)20-18(22)13-21(2)25(23,24)17-11-7-5-9-15(17)12-19/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyJZMAOVXBUSRYAD-UHFFFAOYSA-N
XLogP2.38
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
ethyl 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 54943099
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 22516457
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789289
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 26943718) is 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is JZMAOVXBUSRYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-14-8-4-6-10-16(14)20-18(22)13-21(2)25(23,24)17-11-7-5-9-15(17)12-19/h4-11H,3,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 26943718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).