2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide

C18H18N2O4S — CID 1412164

IUPAC2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C18H18N2O4S/c1-2-24-17-10-6-5-9-16(17)20-18(21)13-25(22,23)12-15-8-4-3-7-14(15)11-19/h3-10H,2,12-13H2,1H3,(H,20,21)
InChIKeyFRYJAPFHGLMNLH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.51
Rot. Bonds7

About 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide

2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 1412164) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID1412164
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C18H18N2O4S/c1-2-24-17-10-6-5-9-16(17)20-18(21)13-25(22,23)12-15-8-4-3-7-14(15)11-19/h3-10H,2,12-13H2,1H3,(H,20,21)
InChIKeyFRYJAPFHGLMNLH-UHFFFAOYSA-N
XLogP2.51
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
2-[(2-cyanophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 39159153
N-butyl-2-[(2-cyanophenyl)methylsulfonyl]acetamide
CID 82177601
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
tert-butyl 2-[(2-cyanophenyl)methylsulfonyl]acetate
CID 116688160
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
CID 174193763
CID 174193763
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
4-[[2-(2-methoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731697

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide (CID 1412164) is 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is FRYJAPFHGLMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-2-24-17-10-6-5-9-16(17)20-18(21)13-25(22,23)12-15-8-4-3-7-14(15)11-19/h3-10H,2,12-13H2,1H3,(H,20,21).
What are the key properties of 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide?
2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 1412164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).