2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C16H18BrN3O2S — CID 55437044

IUPAC2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1ccc(NCC(=O)NC(=O)NCCc2cccs2)c(Br)c1
InChIInChI=1S/C16H18BrN3O2S/c1-11-4-5-14(13(17)9-11)19-10-15(21)20-16(22)18-7-6-12-3-2-8-23-12/h2-5,8-9,19H,6-7,10H2,1H3,(H2,18,20,21,22)
InChIKeyOKMKSDTXTXSENL-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 55437044) has the molecular formula C16H18BrN3O2S and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID55437044
Molecular FormulaC16H18BrN3O2S
Molecular Weight396.31 g/mol
Exact Mass395.03
IUPAC Name2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCc1ccc(NCC(=O)NC(=O)NCCc2cccs2)c(Br)c1
InChIInChI=1S/C16H18BrN3O2S/c1-11-4-5-14(13(17)9-11)19-10-15(21)20-16(22)18-7-6-12-3-2-8-23-12/h2-5,8-9,19H,6-7,10H2,1H3,(H2,18,20,21,22)
InChIKeyOKMKSDTXTXSENL-UHFFFAOYSA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202795
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
2-(4-acetylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 78807187
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(2-thiophen-2-ylethylcarbamoyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644950
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 36988394
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
2-chloro-N-(2-methoxyethyl)-4-[[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl]amino]benzamide
CID 55919274
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 55437044) is 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is Cc1ccc(NCC(=O)NC(=O)NCCc2cccs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is OKMKSDTXTXSENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2S/c1-11-4-5-14(13(17)9-11)19-10-15(21)20-16(22)18-7-6-12-3-2-8-23-12/h2-5,8-9,19H,6-7,10H2,1H3,(H2,18,20,21,22).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 396.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 55437044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).