3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide

C12H6Br2N2OS — CID 81498968

IUPAC3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1sccc1Br
InChIInChI=1S/C12H6Br2N2OS/c13-8-1-2-10(7(5-8)6-15)16-12(17)11-9(14)3-4-18-11/h1-5H,(H,16,17)
InChIKeyQUFVRHXVQSRWNK-UHFFFAOYSA-N
MW386.07 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide

3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide (PubChem CID 81498968) has the molecular formula C12H6Br2N2OS and a molecular weight of 386.07 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
PubChem CID81498968
Molecular FormulaC12H6Br2N2OS
Molecular Weight386.07 g/mol
Exact Mass383.86
IUPAC Name3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1sccc1Br
InChIInChI=1S/C12H6Br2N2OS/c13-8-1-2-10(7(5-8)6-15)16-12(17)11-9(14)3-4-18-11/h1-5H,(H,16,17)
InChIKeyQUFVRHXVQSRWNK-UHFFFAOYSA-N
XLogP4.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.07
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 79503185

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide (CID 81498968) is 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide is N#Cc1cc(Br)ccc1NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide?
The InChIKey is QUFVRHXVQSRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2OS/c13-8-1-2-10(7(5-8)6-15)16-12(17)11-9(14)3-4-18-11/h1-5H,(H,16,17).
What are the key properties of 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide?
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide has a molecular weight of 386.07 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 81498968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).