3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide

C13H13BrN2OS — CID 107571089

IUPAC3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2N)cc(C)c1Br
InChIInChI=1S/C13H13BrN2OS/c1-7-5-9(6-8(2)11(7)14)16-13(17)12-10(15)3-4-18-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyLPJGUYHALZUSAC-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.96
Rot. Bonds2

About 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide

3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 107571089) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
PubChem CID107571089
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2N)cc(C)c1Br
InChIInChI=1S/C13H13BrN2OS/c1-7-5-9(6-8(2)11(7)14)16-13(17)12-10(15)3-4-18-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyLPJGUYHALZUSAC-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82857699
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375
3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 61091716
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 61117853
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide (CID 107571089) is 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2N)cc(C)c1Br.
What is the InChIKey of 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is LPJGUYHALZUSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-7-5-9(6-8(2)11(7)14)16-13(17)12-10(15)3-4-18-12/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide?
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 107571089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).