5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate

C16H14NO5S- — CID 11888553

IUPAC5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate
SMILESCNC(=O)c1ccccc1[S@](=O)c1ccc(OC)cc1C(=O)[O-]
InChIInChI=1S/C16H15NO5S/c1-17-15(18)11-5-3-4-6-13(11)23(21)14-8-7-10(22-2)9-12(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1/t23-/m0/s1
InChIKeyPPAYECAMWKHRMS-QHCPKHFHSA-M
MW332.36 g/mol
LogP0.58
Rot. Bonds5

About 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate

5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate (PubChem CID 11888553) has the molecular formula C16H14NO5S- and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate.

Molecular Properties

Compound Name5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate
PubChem CID11888553
Molecular FormulaC16H14NO5S-
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate
SMILESCNC(=O)c1ccccc1[S@](=O)c1ccc(OC)cc1C(=O)[O-]
InChIInChI=1S/C16H15NO5S/c1-17-15(18)11-5-3-4-6-13(11)23(21)14-8-7-10(22-2)9-12(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1/t23-/m0/s1
InChIKeyPPAYECAMWKHRMS-QHCPKHFHSA-M
XLogP0.58
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate 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

2-(2-carboxyphenyl)sulfinyl-4-methoxybenzoic acid
CID 102253869
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
4-[2-(methylcarbamoyl)phenyl]sulfinylbenzoic acid
CID 10542460
N-(4-methoxyphenyl)-2-[(S)-methylsulfinyl]benzamide
CID 39967717
2-(3-methoxyanilino)benzoate
CID 6943552
2-anilino-4-methoxy-N-methylbenzamide
CID 66646224
2-acetamido-5-methoxybenzoate
CID 6928297
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725
2,4-dimethoxybenzoate
CID 6947027
2-(carboxylatomethyl)-5-methoxybenzoate
CID 2305422
2-[(3-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945257
4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide
CID 86610237

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate?
The IUPAC name of 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate (CID 11888553) is 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate.
What is the SMILES notation for 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate?
The canonical SMILES for 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate is CNC(=O)c1ccccc1[S@](=O)c1ccc(OC)cc1C(=O)[O-].
What is the InChIKey of 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate?
The InChIKey is PPAYECAMWKHRMS-QHCPKHFHSA-M. The full InChI is InChI=1S/C16H15NO5S/c1-17-15(18)11-5-3-4-6-13(11)23(21)14-8-7-10(22-2)9-12(14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1/t23-/m0/s1.
What are the key properties of 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate?
5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate has a molecular weight of 332.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(S)-[2-(methylcarbamoyl)phenyl]sulfinyl]benzoate is sourced from PubChem (CID 11888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).