2-(4-chlorophenyl)sulfanyl-N-ethylacetamide

C10H12ClNOS — CID 875475

IUPAC2-(4-chlorophenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNOS/c1-2-12-10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeySNXXCZAITWNLOB-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.57
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide

2-(4-chlorophenyl)sulfanyl-N-ethylacetamide (PubChem CID 875475) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-ethylacetamide
PubChem CID875475
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNOS/c1-2-12-10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeySNXXCZAITWNLOB-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide (CID 875475) is 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide?
The InChIKey is SNXXCZAITWNLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-2-12-10(13)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide?
2-(4-chlorophenyl)sulfanyl-N-ethylacetamide has a molecular weight of 229.73 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 875475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).