N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide

C13H10Br2N2O2S — CID 39280552

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H10Br2N2O2S/c14-9-6-10(20-12(9)15)13(19)17-8-3-1-7(2-4-8)5-11(16)18/h1-4,6H,5H2,(H2,16,18)(H,17,19)
InChIKeyQKALPOWIZOVQBG-UHFFFAOYSA-N
MW418.11 g/mol
LogP3.55
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide (PubChem CID 39280552) has the molecular formula C13H10Br2N2O2S and a molecular weight of 418.11 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
PubChem CID39280552
Molecular FormulaC13H10Br2N2O2S
Molecular Weight418.11 g/mol
Exact Mass415.88
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H10Br2N2O2S/c14-9-6-10(20-12(9)15)13(19)17-8-3-1-7(2-4-8)5-11(16)18/h1-4,6H,5H2,(H2,16,18)(H,17,19)
InChIKeyQKALPOWIZOVQBG-UHFFFAOYSA-N
XLogP3.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.11
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-2-carboxamide
CID 114302887
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide (CID 39280552) is N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide is NC(=O)Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide?
The InChIKey is QKALPOWIZOVQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2S/c14-9-6-10(20-12(9)15)13(19)17-8-3-1-7(2-4-8)5-11(16)18/h1-4,6H,5H2,(H2,16,18)(H,17,19).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide has a molecular weight of 418.11 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 39280552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).