2-(3-ethylphenyl)sulfanylacetamide

C10H13NOS — CID 54448498

IUPAC2-(3-ethylphenyl)sulfanylacetamide
SMILESCCc1cccc(SCC(N)=O)c1
InChIInChI=1S/C10H13NOS/c1-2-8-4-3-5-9(6-8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyPQBCYGYECJPOOQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-ethylphenyl)sulfanylacetamide

2-(3-ethylphenyl)sulfanylacetamide (PubChem CID 54448498) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(3-ethylphenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-ethylphenyl)sulfanylacetamide
PubChem CID54448498
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(3-ethylphenyl)sulfanylacetamide
SMILESCCc1cccc(SCC(N)=O)c1
InChIInChI=1S/C10H13NOS/c1-2-8-4-3-5-9(6-8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKeyPQBCYGYECJPOOQ-UHFFFAOYSA-N
XLogP1.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)sulfanylacetamide?
The IUPAC name of 2-(3-ethylphenyl)sulfanylacetamide (CID 54448498) is 2-(3-ethylphenyl)sulfanylacetamide.
What is the SMILES notation for 2-(3-ethylphenyl)sulfanylacetamide?
The canonical SMILES for 2-(3-ethylphenyl)sulfanylacetamide is CCc1cccc(SCC(N)=O)c1.
What is the InChIKey of 2-(3-ethylphenyl)sulfanylacetamide?
The InChIKey is PQBCYGYECJPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-8-4-3-5-9(6-8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H2,11,12).
What are the key properties of 2-(3-ethylphenyl)sulfanylacetamide?
2-(3-ethylphenyl)sulfanylacetamide has a molecular weight of 195.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)sulfanylacetamide is sourced from PubChem (CID 54448498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).