2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C17H21N3O3S — CID 43015979

IUPAC2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCCOc1ccccc1NCC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H21N3O3S/c1-2-23-15-8-4-3-7-14(15)19-12-16(21)20-17(22)18-10-9-13-6-5-11-24-13/h3-8,11,19H,2,9-10,12H2,1H3,(H2,18,20,21,22)
InChIKeyZSKSHRYZZCWWNH-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.63
Rot. Bonds8

About 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 43015979) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID43015979
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCCOc1ccccc1NCC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H21N3O3S/c1-2-23-15-8-4-3-7-14(15)19-12-16(21)20-17(22)18-10-9-13-6-5-11-24-13/h3-8,11,19H,2,9-10,12H2,1H3,(H2,18,20,21,22)
InChIKeyZSKSHRYZZCWWNH-UHFFFAOYSA-N
XLogP2.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-thiophen-2-ylethylcarbamoyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644950
2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55437044
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 78807187
2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962812
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 43015979) is 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CCOc1ccccc1NCC(=O)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is ZSKSHRYZZCWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-23-15-8-4-3-7-14(15)19-12-16(21)20-17(22)18-10-9-13-6-5-11-24-13/h3-8,11,19H,2,9-10,12H2,1H3,(H2,18,20,21,22).
What are the key properties of 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 43015979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).