N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide

C12H11BrN2OS — CID 18070471

IUPACN-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2OS/c1-7-2-3-8(14)6-9(7)15-12(16)10-4-5-11(13)17-10/h2-6H,14H2,1H3,(H,15,16)
InChIKeyAALPWQFXFGQMKP-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.65
Rot. Bonds2

About N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide

N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide (PubChem CID 18070471) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
PubChem CID18070471
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC NameN-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H11BrN2OS/c1-7-2-3-8(14)6-9(7)15-12(16)10-4-5-11(13)17-10/h2-6H,14H2,1H3,(H,15,16)
InChIKeyAALPWQFXFGQMKP-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

N-(4-amino-2-bromophenyl)-5-bromothiophene-2-carboxamide
CID 43549542
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 55178097
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
5-bromo-N-(2,6-difluoro-3-methylphenyl)thiophene-2-carboxamide
CID 82818843
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
CID 43549040
N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 120568556
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79043907
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromothiophene-2-carboxamide
CID 43548159

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide (CID 18070471) is N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide?
The InChIKey is AALPWQFXFGQMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-7-2-3-8(14)6-9(7)15-12(16)10-4-5-11(13)17-10/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide?
N-(5-amino-2-methylphenyl)-5-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-(5-amino-2-methylphenyl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 18070471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).