N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide

C13H13BrN2O2S — CID 104814524

IUPACN-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1cc(N)c(C)cc1Br
InChIInChI=1S/C13H13BrN2O2S/c1-7-5-8(14)10(6-9(7)15)16-13(17)12-11(18-2)3-4-19-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyDLWMDKXRXLSDLV-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.66
Rot. Bonds3

About N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide

N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide (PubChem CID 104814524) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
PubChem CID104814524
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1cc(N)c(C)cc1Br
InChIInChI=1S/C13H13BrN2O2S/c1-7-5-8(14)10(6-9(7)15)16-13(17)12-11(18-2)3-4-19-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyDLWMDKXRXLSDLV-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.66
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-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
N-(5-amino-2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 113456224
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104723964
3-methoxy-N-(2-methoxy-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 71983286

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide (CID 104814524) is N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1cc(N)c(C)cc1Br.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is DLWMDKXRXLSDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-7-5-8(14)10(6-9(7)15)16-13(17)12-11(18-2)3-4-19-12/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide?
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 104814524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).