2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide

C10H11N3O3S — CID 168521039

IUPAC2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CC#N
InChIInChI=1S/C10H11N3O3S/c1-7-2-3-8(17(12,15)16)6-9(7)13-10(14)4-5-11/h2-3,6H,4H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyGAOFUEPXLKMANY-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.49
Rot. Bonds3

About 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide

2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide (PubChem CID 168521039) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
PubChem CID168521039
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CC#N
InChIInChI=1S/C10H11N3O3S/c1-7-2-3-8(17(12,15)16)6-9(7)13-10(14)4-5-11/h2-3,6H,4H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyGAOFUEPXLKMANY-UHFFFAOYSA-N
XLogP0.49
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
2-(1-aminocyclopentyl)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 64685240
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide (CID 168521039) is 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide?
The InChIKey is GAOFUEPXLKMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-2-3-8(17(12,15)16)6-9(7)13-10(14)4-5-11/h2-3,6H,4H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide?
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide has a molecular weight of 253.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 168521039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).