2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide

C11H13N3O3S — CID 168520574

IUPAC2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1NS(C)(=O)=O
InChIInChI=1S/C11H13N3O3S/c1-8-3-4-9(13-11(15)5-6-12)7-10(8)14-18(2,16)17/h3-4,7,14H,5H2,1-2H3,(H,13,15)
InChIKeyWWOLUQPPRIWCCZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.22
Rot. Bonds4

About 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide

2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide (PubChem CID 168520574) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
PubChem CID168520574
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1NS(C)(=O)=O
InChIInChI=1S/C11H13N3O3S/c1-8-3-4-9(13-11(15)5-6-12)7-10(8)14-18(2,16)17/h3-4,7,14H,5H2,1-2H3,(H,13,15)
InChIKeyWWOLUQPPRIWCCZ-UHFFFAOYSA-N
XLogP1.22
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
phenyl 5-[(2-cyanoacetyl)amino]-2-methylbenzenesulfonate
CID 168523061
2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168523034

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide (CID 168520574) is 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CC#N)cc1NS(C)(=O)=O.
What is the InChIKey of 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
The InChIKey is WWOLUQPPRIWCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-3-4-9(13-11(15)5-6-12)7-10(8)14-18(2,16)17/h3-4,7,14H,5H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide?
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide has a molecular weight of 267.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide is sourced from PubChem (CID 168520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).