N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide

C12H10Br2N2OS — CID 82862298

IUPACN-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)c(Br)c2)sc1Br
InChIInChI=1S/C12H10Br2N2OS/c1-6-4-10(18-11(6)14)12(17)16-7-2-3-9(15)8(13)5-7/h2-5H,15H2,1H3,(H,16,17)
InChIKeyHECJKBUTHJIMDB-UHFFFAOYSA-N
MW390.10 g/mol
LogP4.42
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide

N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 82862298) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID82862298
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC NameN-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)c(Br)c2)sc1Br
InChIInChI=1S/C12H10Br2N2OS/c1-6-4-10(18-11(6)14)12(17)16-7-2-3-9(15)8(13)5-7/h2-5H,15H2,1H3,(H,16,17)
InChIKeyHECJKBUTHJIMDB-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 63333055
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 79964276
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide (CID 82862298) is N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(N)c(Br)c2)sc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is HECJKBUTHJIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c1-6-4-10(18-11(6)14)12(17)16-7-2-3-9(15)8(13)5-7/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 390.10 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 82862298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).