4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide

C20H18BrN3O2S — CID 2806398

IUPAC4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide
SMILESCc1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C(N)=O)c(C)c1
InChIInChI=1S/C20H18BrN3O2S/c1-10-3-8-14(11(2)9-10)24-20-15(19(23)26)16(22)18(27-20)17(25)12-4-6-13(21)7-5-12/h3-9,24H,22H2,1-2H3,(H2,23,26)
InChIKeyAPCVSFLPHGKDIF-UHFFFAOYSA-N
MW444.35 g/mol
LogP4.78
Rot. Bonds5

About 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide

4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide (PubChem CID 2806398) has the molecular formula C20H18BrN3O2S and a molecular weight of 444.35 g/mol. Its IUPAC name is 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide
PubChem CID2806398
Molecular FormulaC20H18BrN3O2S
Molecular Weight444.35 g/mol
Exact Mass443.03
IUPAC Name4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide
SMILESCc1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C(N)=O)c(C)c1
InChIInChI=1S/C20H18BrN3O2S/c1-10-3-8-14(11(2)9-10)24-20-15(19(23)26)16(22)18(27-20)17(25)12-4-6-13(21)7-5-12/h3-9,24H,22H2,1-2H3,(H2,23,26)
InChIKeyAPCVSFLPHGKDIF-UHFFFAOYSA-N
XLogP4.78
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.35
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide 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

4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide
CID 2380326
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2,4-dimethylanilino)thiophen-2-yl]-(4-fluorophenyl)methanone
CID 46350963
4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
CID 5059441
[3-amino-5-(2,4-dimethylanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350910
[3-amino-5-(2,5-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-methylphenyl)methanone
CID 16956120
4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
CID 20932234
4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-phenylthiophene-3-carboxamide
CID 5059448
[3-amino-5-anilino-4-(4-bromophenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350988
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509
[3-amino-5-(2,5-dimethylanilino)-4-propylsulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 16956124
4-bromo-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 65343203
1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide (CID 2806398) is 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide is Cc1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C(N)=O)c(C)c1.
What is the InChIKey of 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide?
The InChIKey is APCVSFLPHGKDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2S/c1-10-3-8-14(11(2)9-10)24-20-15(19(23)26)16(22)18(27-20)17(25)12-4-6-13(21)7-5-12/h3-9,24H,22H2,1-2H3,(H2,23,26).
What are the key properties of 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide?
4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide has a molecular weight of 444.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-bromobenzoyl)-2-(2,4-dimethylanilino)thiophene-3-carboxamide is sourced from PubChem (CID 2806398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).