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

C13H13BrN2OS — CID 63333055

IUPAC4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)c(C)s2)cc1Br
InChIInChI=1S/C13H13BrN2OS/c1-7-3-4-9(5-10(7)14)16-13(17)12-6-11(15)8(2)18-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyOFCWRFVLHHOJQZ-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.96
Rot. Bonds2

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

4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 63333055) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
PubChem CID63333055
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)c(C)s2)cc1Br
InChIInChI=1S/C13H13BrN2OS/c1-7-3-4-9(5-10(7)14)16-13(17)12-6-11(15)8(2)18-12/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyOFCWRFVLHHOJQZ-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

4-amino-N-(3-chloro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61091195
4-amino-N-(3-fluoro-4-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61090591
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 115375794
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
CID 54955521
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
4-amino-N-(6-methoxy-3-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61091487

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide (CID 63333055) is 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(N)c(C)s2)cc1Br.
What is the InChIKey of 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is OFCWRFVLHHOJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-7-3-4-9(5-10(7)14)16-13(17)12-6-11(15)8(2)18-12/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-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 4-amino-N-(3-bromo-4-methylphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 63333055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).