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

C12H8BrN3OS — CID 114002425

IUPAC3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2sccc2N)c(Br)c1
InChIInChI=1S/C12H8BrN3OS/c13-8-5-7(6-14)1-2-10(8)16-12(17)11-9(15)3-4-18-11/h1-5H,15H2,(H,16,17)
InChIKeyVLDMUEFSELASMN-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.22
Rot. Bonds2

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

3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide (PubChem CID 114002425) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
PubChem CID114002425
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2sccc2N)c(Br)c1
InChIInChI=1S/C12H8BrN3OS/c13-8-5-7(6-14)1-2-10(8)16-12(17)11-9(15)3-4-18-11/h1-5H,15H2,(H,16,17)
InChIKeyVLDMUEFSELASMN-UHFFFAOYSA-N
XLogP3.22
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 115910932
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
3-[(2-bromo-4-cyanoanilino)methyl]thiophene-2-carboxylic acid
CID 107791392
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide (CID 114002425) is 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2sccc2N)c(Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide?
The InChIKey is VLDMUEFSELASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-8-5-7(6-14)1-2-10(8)16-12(17)11-9(15)3-4-18-11/h1-5H,15H2,(H,16,17).
What are the key properties of 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide?
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide has a molecular weight of 322.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 114002425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).