CID 71464784

C12H13N2O2S — CID 71464784

IUPAC—
SMILESCC(C)COc1ccc(C(N)=O)c([S])c1C#N
InChIInChI=1S/C12H13N2O2S/c1-7(2)6-16-10-4-3-8(12(14)15)11(17)9(10)5-13/h3-4,7H,6H2,1-2H3,(H2,14,15)
InChIKeyONJATJQRCXADBK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.25
Rot. Bonds4

About CID 71464784

CID 71464784 (PubChem CID 71464784) has the molecular formula C12H13N2O2S and a molecular weight of 249.31 g/mol.

Molecular Properties

Compound NameCID 71464784
PubChem CID71464784
Molecular FormulaC12H13N2O2S
Molecular Weight249.31 g/mol
Exact Mass249.07
IUPAC Name—
SMILESCC(C)COc1ccc(C(N)=O)c([S])c1C#N
InChIInChI=1S/C12H13N2O2S/c1-7(2)6-16-10-4-3-8(12(14)15)11(17)9(10)5-13/h3-4,7H,6H2,1-2H3,(H2,14,15)
InChIKeyONJATJQRCXADBK-UHFFFAOYSA-N
XLogP2.25
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 71464784 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylpropoxy)benzene-1,3-dicarboxamide
CID 162371646
3-cyano-2-(2-hydroxyethyl)-4-propan-2-yloxybenzamide
CID 142790563
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
3-cyano-2-formyl-4-methoxybenzamide
CID 171013101
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
CID 100751118
2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
2-chloro-4-(2-methylpropoxy)-5-nitrobenzamide
CID 112756919
3-(carbamothioylamino)-4-(2-methylpropoxy)benzoic acid
CID 169357649
5-bromo-N-[(4-carbamoylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17051104
ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxylate
CID 68702096
4,8-dicyano-5-(2-methylpropoxycarbonyl)naphthalene-1-carboxylic acid
CID 141254601

Frequently Asked Questions

What is the IUPAC name of CID 71464784?
The IUPAC name of CID 71464784 (CID 71464784) is not available.
What is the SMILES notation for CID 71464784?
The canonical SMILES for CID 71464784 is CC(C)COc1ccc(C(N)=O)c([S])c1C#N.
What is the InChIKey of CID 71464784?
The InChIKey is ONJATJQRCXADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2S/c1-7(2)6-16-10-4-3-8(12(14)15)11(17)9(10)5-13/h3-4,7H,6H2,1-2H3,(H2,14,15).
What are the key properties of CID 71464784?
CID 71464784 has a molecular weight of 249.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71464784 is sourced from PubChem (CID 71464784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).