2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone

C12H9Br2NOS — CID 3648468

IUPAC2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(CNc1ccc(Br)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H9Br2NOS/c13-8-1-3-9(4-2-8)15-7-10(16)11-5-6-12(14)17-11/h1-6,15H,7H2
InChIKeyBZTSWLAROITJSP-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.57
Rot. Bonds4

About 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone

2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone (PubChem CID 3648468) has the molecular formula C12H9Br2NOS and a molecular weight of 375.09 g/mol. Its IUPAC name is 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
PubChem CID3648468
Molecular FormulaC12H9Br2NOS
Molecular Weight375.09 g/mol
Exact Mass372.88
IUPAC Name2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
SMILESO=C(CNc1ccc(Br)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H9Br2NOS/c13-8-1-3-9(4-2-8)15-7-10(16)11-5-6-12(14)17-11/h1-6,15H,7H2
InChIKeyBZTSWLAROITJSP-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone 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

Tibrofan
CID 27448
N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
3-[(4-Bromo-2-fluorophenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2210642
N-(4-bromophenyl)-5-methylthiophene-3-carboxamide
CID 2970340
N'-(4-bromophenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]oxamide
CID 2931346
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25163761
N-(4-bromophenyl)-2-(2-thienyl)acetamide
CID 531787
N-(3-bromophenyl)thiophene-2-carboxamide
CID 743465
N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2531312
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 25163759
3-Bromo-N-phenyl-2-thiophenecarboxamide
CID 24212605
N-(4-bromo-2-fluorophenyl)thiophene-2-carboxamide
CID 2874312

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone (CID 3648468) is 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone is O=C(CNc1ccc(Br)cc1)c1ccc(Br)s1.
What is the InChIKey of 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone?
The InChIKey is BZTSWLAROITJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NOS/c13-8-1-3-9(4-2-8)15-7-10(16)11-5-6-12(14)17-11/h1-6,15H,7H2.
What are the key properties of 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone?
2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone has a molecular weight of 375.09 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 3648468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).