N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide

C18H16N2O4S — CID 46488526

IUPACN-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H16N2O4S/c1-13(21)16-3-2-4-17(9-16)20-18(22)12-25(23,24)11-15-7-5-14(10-19)6-8-15/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyVBMIDBBMNRTCFD-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.31
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide

N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide (PubChem CID 46488526) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
PubChem CID46488526
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H16N2O4S/c1-13(21)16-3-2-4-17(9-16)20-18(22)12-25(23,24)11-15-7-5-14(10-19)6-8-15/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyVBMIDBBMNRTCFD-UHFFFAOYSA-N
XLogP2.31
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46490267
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181859
2-[(4-cyanophenyl)methylsulfonyl]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 55892666
4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731412
2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 46489210
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984052
2-(4-cyanophenyl)-N-(3-hydroxyphenyl)acetamide
CID 103827428
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 55759563
N-(3-acetylphenyl)propanamide
CID 903063
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
CID 108856731
N-(3-acetylphenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544853

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide (CID 46488526) is N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide is CC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
The InChIKey is VBMIDBBMNRTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-13(21)16-3-2-4-17(9-16)20-18(22)12-25(23,24)11-15-7-5-14(10-19)6-8-15/h2-9H,11-12H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide?
N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 46488526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).