N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide

C12H11BrN2OS — CID 63804092

IUPACN-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2Br)c(N)c1
InChIInChI=1S/C12H11BrN2OS/c1-7-2-3-10(9(14)6-7)15-12(16)11-8(13)4-5-17-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyZPPTVIODTZDDGG-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.65
Rot. Bonds2

About N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide

N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide (PubChem CID 63804092) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
PubChem CID63804092
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2Br)c(N)c1
InChIInChI=1S/C12H11BrN2OS/c1-7-2-3-10(9(14)6-7)15-12(16)11-8(13)4-5-17-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyZPPTVIODTZDDGG-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.65
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

3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 63297240
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide (CID 63804092) is N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2Br)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide?
The InChIKey is ZPPTVIODTZDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-7-2-3-10(9(14)6-7)15-12(16)11-8(13)4-5-17-11/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide?
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 63804092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).