2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C16H18N2O2S2 — CID 51153283

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C16H18N2O2S2/c1-12(19)18-13-4-6-15(7-5-13)22-11-16(20)17-9-8-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyURFZEGVRSAFJOV-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.16
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 51153283) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID51153283
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C16H18N2O2S2/c1-12(19)18-13-4-6-15(7-5-13)22-11-16(20)17-9-8-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyURFZEGVRSAFJOV-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 40517895
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595
N-(4-fluorophenyl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 46327812
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 8944590
2-(4-acetamidophenyl)sulfanyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 26599961
N-methyl-2-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 8772566
4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid
CID 43242269
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 51153283) is 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is CC(=O)Nc1ccc(SCC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is URFZEGVRSAFJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-12(19)18-13-4-6-15(7-5-13)22-11-16(20)17-9-8-14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 334.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 51153283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).