2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C17H19N3O3S — CID 78807187

IUPAC2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCC(=O)c1ccc(NCC(=O)NC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H19N3O3S/c1-12(21)13-4-6-14(7-5-13)19-11-16(22)20-17(23)18-9-8-15-3-2-10-24-15/h2-7,10,19H,8-9,11H2,1H3,(H2,18,20,22,23)
InChIKeyNSOASLWQUHIPCK-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.43
Rot. Bonds7

About 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 78807187) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID78807187
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCC(=O)c1ccc(NCC(=O)NC(=O)NCCc2cccs2)cc1
InChIInChI=1S/C17H19N3O3S/c1-12(21)13-4-6-14(7-5-13)19-11-16(22)20-17(23)18-9-8-15-3-2-10-24-15/h2-7,10,19H,8-9,11H2,1H3,(H2,18,20,22,23)
InChIKeyNSOASLWQUHIPCK-UHFFFAOYSA-N
XLogP2.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
CID 55919274
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55437044
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55626387
N-(2-thiophen-2-ylethylcarbamoyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644950
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 78807187) is 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CC(=O)c1ccc(NCC(=O)NC(=O)NCCc2cccs2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is NSOASLWQUHIPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12(21)13-4-6-14(7-5-13)19-11-16(22)20-17(23)18-9-8-15-3-2-10-24-15/h2-7,10,19H,8-9,11H2,1H3,(H2,18,20,22,23).
What are the key properties of 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 78807187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).