2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide

C13H12BrClN2OS — CID 102840307

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide
SMILESCc1sc(C(Nc2ccc(Cl)cc2)C(N)=O)cc1Br
InChIInChI=1S/C13H12BrClN2OS/c1-7-10(14)6-11(19-7)12(13(16)18)17-9-4-2-8(15)3-5-9/h2-6,12,17H,1H3,(H2,16,18)
InChIKeyLBXPHJQADPFUFZ-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.11
Rot. Bonds4

About 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide

2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide (PubChem CID 102840307) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide
PubChem CID102840307
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide
SMILESCc1sc(C(Nc2ccc(Cl)cc2)C(N)=O)cc1Br
InChIInChI=1S/C13H12BrClN2OS/c1-7-10(14)6-11(19-7)12(13(16)18)17-9-4-2-8(15)3-5-9/h2-6,12,17H,1H3,(H2,16,18)
InChIKeyLBXPHJQADPFUFZ-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)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-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
CID 102840245
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
CID 61347171
2-anilino-2-(2-bromo-5-chlorophenyl)acetamide
CID 66156253
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
2-(4-chloroanilino)propanamide
CID 43085931
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
methyl 2-anilino-2-(4-bromo-5-chlorothiophen-2-yl)acetate
CID 102840677
2-(4-chloroanilino)-2-(2-hydroxyphenyl)acetamide
CID 116684903
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide (CID 102840307) is 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide is Cc1sc(C(Nc2ccc(Cl)cc2)C(N)=O)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide?
The InChIKey is LBXPHJQADPFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-7-10(14)6-11(19-7)12(13(16)18)17-9-4-2-8(15)3-5-9/h2-6,12,17H,1H3,(H2,16,18).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide?
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide has a molecular weight of 359.68 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide is sourced from PubChem (CID 102840307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).