2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

C16H16ClNO2S — CID 2949616

IUPAC2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-2-20-14-8-6-13(7-9-14)18-16(19)11-21-15-5-3-4-12(17)10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyVLOYXXFDZKNEDO-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds6

About 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 2949616) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID2949616
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2S/c1-2-20-14-8-6-13(7-9-14)18-16(19)11-21-15-5-3-4-12(17)10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyVLOYXXFDZKNEDO-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316374
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(4-ethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316662
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
(E)-N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18901917
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 2949616) is 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is VLOYXXFDZKNEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-2-20-14-8-6-13(7-9-14)18-16(19)11-21-15-5-3-4-12(17)10-15/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2949616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).