N-(4-methoxyphenyl)-2-sulfanylacetamide

C9H11NO2S — CID 715342

IUPACN-(4-methoxyphenyl)-2-sulfanylacetamide
SMILESCOc1ccc(NC(=O)CS)cc1
InChIInChI=1S/C9H11NO2S/c1-12-8-4-2-7(3-5-8)10-9(11)6-13/h2-5,13H,6H2,1H3,(H,10,11)
InChIKeyNIVCBNLRTZSKJW-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.56
Rot. Bonds3

About N-(4-methoxyphenyl)-2-sulfanylacetamide

N-(4-methoxyphenyl)-2-sulfanylacetamide (PubChem CID 715342) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-sulfanylacetamide
PubChem CID715342
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(4-methoxyphenyl)-2-sulfanylacetamide
SMILESCOc1ccc(NC(=O)CS)cc1
InChIInChI=1S/C9H11NO2S/c1-12-8-4-2-7(3-5-8)10-9(11)6-13/h2-5,13H,6H2,1H3,(H,10,11)
InChIKeyNIVCBNLRTZSKJW-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-sulfanylacetamide (CID 715342) is N-(4-methoxyphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-sulfanylacetamide is COc1ccc(NC(=O)CS)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-sulfanylacetamide?
The InChIKey is NIVCBNLRTZSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-8-4-2-7(3-5-8)10-9(11)6-13/h2-5,13H,6H2,1H3,(H,10,11).
What are the key properties of N-(4-methoxyphenyl)-2-sulfanylacetamide?
N-(4-methoxyphenyl)-2-sulfanylacetamide has a molecular weight of 197.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 715342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).