5-ethyl-2-sulfanylbenzamide

C9H11NOS — CID 145411190

IUPAC5-ethyl-2-sulfanylbenzamide
SMILESCCc1ccc(S)c(C(N)=O)c1
InChIInChI=1S/C9H11NOS/c1-2-6-3-4-8(12)7(5-6)9(10)11/h3-5,12H,2H2,1H3,(H2,10,11)
InChIKeyRNQMDRBGHFFDPL-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.64
Rot. Bonds2

About 5-ethyl-2-sulfanylbenzamide

5-ethyl-2-sulfanylbenzamide (PubChem CID 145411190) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-ethyl-2-sulfanylbenzamide.

Molecular Properties

Compound Name5-ethyl-2-sulfanylbenzamide
PubChem CID145411190
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name5-ethyl-2-sulfanylbenzamide
SMILESCCc1ccc(S)c(C(N)=O)c1
InChIInChI=1S/C9H11NOS/c1-2-6-3-4-8(12)7(5-6)9(10)11/h3-5,12H,2H2,1H3,(H2,10,11)
InChIKeyRNQMDRBGHFFDPL-UHFFFAOYSA-N
XLogP1.64
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-ethyl-2-sulfanylbenzamide 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

propyl 2-carbamoyl-5-ethylbenzoate
CID 57025682
2-(5-ethyl-2-sulfanylphenyl)acetic acid
CID 91874058
5-acetyl-2-sulfanylbenzamide
CID 22351950
2,5-diethylbenzoyl iodide
CID 139959906
ethyl 2-bromo-5-ethylbenzoate
CID 91882232
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
propyl 2,5-diethylbenzoate
CID 22448167
2-fluoro-4-propylbenzamide
CID 175786906
2-chloro-5-ethylpyridine-3-carboxamide
CID 123601830
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-sulfanylbenzamide?
The IUPAC name of 5-ethyl-2-sulfanylbenzamide (CID 145411190) is 5-ethyl-2-sulfanylbenzamide.
What is the SMILES notation for 5-ethyl-2-sulfanylbenzamide?
The canonical SMILES for 5-ethyl-2-sulfanylbenzamide is CCc1ccc(S)c(C(N)=O)c1.
What is the InChIKey of 5-ethyl-2-sulfanylbenzamide?
The InChIKey is RNQMDRBGHFFDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-6-3-4-8(12)7(5-6)9(10)11/h3-5,12H,2H2,1H3,(H2,10,11).
What are the key properties of 5-ethyl-2-sulfanylbenzamide?
5-ethyl-2-sulfanylbenzamide has a molecular weight of 181.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-sulfanylbenzamide is sourced from PubChem (CID 145411190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).