2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C16H18N2O3S2 — CID 27562284

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCOc1ccc(SCC(=O)NC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-21-12-4-6-14(7-5-12)23-11-15(19)18-16(20)17-9-8-13-3-2-10-22-13/h2-7,10H,8-9,11H2,1H3,(H2,17,18,19,20)
InChIKeyYFGGOANEIDGTGV-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.92
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 27562284) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID27562284
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCOc1ccc(SCC(=O)NC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-21-12-4-6-14(7-5-12)23-11-15(19)18-16(20)17-9-8-13-3-2-10-22-13/h2-7,10H,8-9,11H2,1H3,(H2,17,18,19,20)
InChIKeyYFGGOANEIDGTGV-UHFFFAOYSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549305
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 36988394
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
2-[[5-[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55384644
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 28574230
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 34253728
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 27562284) is 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is COc1ccc(SCC(=O)NC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is YFGGOANEIDGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-21-12-4-6-14(7-5-12)23-11-15(19)18-16(20)17-9-8-13-3-2-10-22-13/h2-7,10H,8-9,11H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 27562284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).