4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

C13H10Br2N2O2S — CID 24635611

IUPAC4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H10Br2N2O2S/c1-16-12(18)7-2-4-8(5-3-7)17-13(19)10-6-9(14)11(15)20-10/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyIBGPUGYRIMEBSJ-UHFFFAOYSA-N
MW418.11 g/mol
LogP3.88
Rot. Bonds3

About 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 24635611) has the molecular formula C13H10Br2N2O2S and a molecular weight of 418.11 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID24635611
Molecular FormulaC13H10Br2N2O2S
Molecular Weight418.11 g/mol
Exact Mass415.88
IUPAC Name4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C13H10Br2N2O2S/c1-16-12(18)7-2-4-8(5-3-7)17-13(19)10-6-9(14)11(15)20-10/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyIBGPUGYRIMEBSJ-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.11
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]methyl]thiophene-2-carboxamide
CID 112725586
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 24635611) is 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IBGPUGYRIMEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2S/c1-16-12(18)7-2-4-8(5-3-7)17-13(19)10-6-9(14)11(15)20-10/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 418.11 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24635611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).