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

C12H11BrN2O2S — CID 63797635

IUPACN-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2Br)cc1N
InChIInChI=1S/C12H11BrN2O2S/c1-17-10-3-2-7(6-9(10)14)15-12(16)11-8(13)4-5-18-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyDCRNBZZTTNYFJQ-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.35
Rot. Bonds3

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

N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide (PubChem CID 63797635) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
PubChem CID63797635
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2Br)cc1N
InChIInChI=1S/C12H11BrN2O2S/c1-17-10-3-2-7(6-9(10)14)15-12(16)11-8(13)4-5-18-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyDCRNBZZTTNYFJQ-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82857699
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744719
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 47231538
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide (CID 63797635) is N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2Br)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide?
The InChIKey is DCRNBZZTTNYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-17-10-3-2-7(6-9(10)14)15-12(16)11-8(13)4-5-18-11/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide?
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 63797635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).