N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C18H19N3O4S — CID 113155262

IUPACN-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-3-25-17-7-5-4-6-16(17)21(26(2,23)24)13-18(22)20-15-10-8-14(12-19)9-11-15/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyVQIMCTVTQLRDFW-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.36
Rot. Bonds7

About N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 113155262) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID113155262
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S/c1-3-25-17-7-5-4-6-16(17)21(26(2,23)24)13-18(22)20-15-10-8-14(12-19)9-11-15/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyVQIMCTVTQLRDFW-UHFFFAOYSA-N
XLogP2.36
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155496
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 4155954
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 21372080
methyl 2-chloro-5-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126317794
N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1098117
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 113156893
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 113155262) is N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is VQIMCTVTQLRDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-25-17-7-5-4-6-16(17)21(26(2,23)24)13-18(22)20-15-10-8-14(12-19)9-11-15/h4-11H,3,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113155262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).