N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide

C13H11BrN2O2S — CID 17173176

IUPACN-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(Br)cs2)c1
InChIInChI=1S/C13H11BrN2O2S/c1-8(17)15-10-3-2-4-11(6-10)16-13(18)12-5-9(14)7-19-12/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyDECBGXAPGVCWCP-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.72
Rot. Bonds3

About N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide

N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide (PubChem CID 17173176) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
PubChem CID17173176
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(Br)cs2)c1
InChIInChI=1S/C13H11BrN2O2S/c1-8(17)15-10-3-2-4-11(6-10)16-13(18)12-5-9(14)7-19-12/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyDECBGXAPGVCWCP-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
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2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
CID 55834573
N-(3-acetylphenyl)-4-methoxythiophene-2-carboxamide
CID 79459873
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
N-(3-methylphenyl)acetamide
CID 10843
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-(3-acetamidophenyl)-4-bromo-3-hydroxybenzamide
CID 103871323
N-(3-amino-5-chlorophenyl)-4-bromothiophene-2-carboxamide
CID 169144422
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide (CID 17173176) is N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(Br)cs2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide?
The InChIKey is DECBGXAPGVCWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-8(17)15-10-3-2-4-11(6-10)16-13(18)12-5-9(14)7-19-12/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide?
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide is sourced from PubChem (CID 17173176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).