2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C17H21N3O2S — CID 51202795

IUPAC2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1cccc(NCC(=O)NC(=O)NCCc2cccs2)c1C
InChIInChI=1S/C17H21N3O2S/c1-12-5-3-7-15(13(12)2)19-11-16(21)20-17(22)18-9-8-14-6-4-10-23-14/h3-7,10,19H,8-9,11H2,1-2H3,(H2,18,20,21,22)
InChIKeyFYYUYJHNERFACY-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.85
Rot. Bonds6

About 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 51202795) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID51202795
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1cccc(NCC(=O)NC(=O)NCCc2cccs2)c1C
InChIInChI=1S/C17H21N3O2S/c1-12-5-3-7-15(13(12)2)19-11-16(21)20-17(22)18-9-8-14-6-4-10-23-14/h3-7,10,19H,8-9,11H2,1-2H3,(H2,18,20,21,22)
InChIKeyFYYUYJHNERFACY-UHFFFAOYSA-N
XLogP2.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55437044
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
N-(2-thiophen-2-ylethylcarbamoyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644950
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 78807187
2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540
2-(2,3-dimethylanilino)-1-thiophen-2-ylethanone
CID 23738755
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 51202795) is 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is Cc1cccc(NCC(=O)NC(=O)NCCc2cccs2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is FYYUYJHNERFACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-5-3-7-15(13(12)2)19-11-16(21)20-17(22)18-9-8-14-6-4-10-23-14/h3-7,10,19H,8-9,11H2,1-2H3,(H2,18,20,21,22).
What are the key properties of 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 51202795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).