N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide

C11H12N2O4S — CID 104849054

IUPACN-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
SMILESCOc1cc(C#N)ccc1NC(=O)CS(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-17-10-5-8(6-12)3-4-9(10)13-11(14)7-18(2,15)16/h3-5H,7H2,1-2H3,(H,13,14)
InChIKeyTVASYVYIMVRQSC-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.55
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide

N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide (PubChem CID 104849054) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
PubChem CID104849054
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
SMILESCOc1cc(C#N)ccc1NC(=O)CS(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-17-10-5-8(6-12)3-4-9(10)13-11(14)7-18(2,15)16/h3-5H,7H2,1-2H3,(H,13,14)
InChIKeyTVASYVYIMVRQSC-UHFFFAOYSA-N
XLogP0.55
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
CID 104854981
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide (CID 104849054) is N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide is COc1cc(C#N)ccc1NC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide?
The InChIKey is TVASYVYIMVRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-17-10-5-8(6-12)3-4-9(10)13-11(14)7-18(2,15)16/h3-5H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide?
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide has a molecular weight of 268.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 104849054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).