N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide

C12H9BrN2O2S — CID 141087470

IUPACN-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)c1cccs1
InChIInChI=1S/C12H9BrN2O2S/c13-7-3-4-9(8(6-7)11(14)16)15-12(17)10-2-1-5-18-10/h1-6H,(H2,14,16)(H,15,17)
InChIKeyJKVHOOWVJKPRRO-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.86
Rot. Bonds3

About N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide

N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide (PubChem CID 141087470) has the molecular formula C12H9BrN2O2S and a molecular weight of 325.19 g/mol. Its IUPAC name is N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
PubChem CID141087470
Molecular FormulaC12H9BrN2O2S
Molecular Weight325.19 g/mol
Exact Mass323.96
IUPAC NameN-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)c1cccs1
InChIInChI=1S/C12H9BrN2O2S/c13-7-3-4-9(8(6-7)11(14)16)15-12(17)10-2-1-5-18-10/h1-6H,(H2,14,16)(H,15,17)
InChIKeyJKVHOOWVJKPRRO-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60528117
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
N-(4-bromo-2-carbamoylphenyl)naphthalene-2-carboxamide
CID 176689257
N-(3-carbamoyl-2-phenylphenyl)thiophene-2-carboxamide
CID 174504895
N-[4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17317061
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
CID 142141961
5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 5-bromo-2-hydroxybenzoate
CID 25102395
4-bromo-2-carbamoyl-1-(sulfinoamino)benzene
CID 174718370
[2-(2,4-dibromoanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23878484
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide (CID 141087470) is N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide is NC(=O)c1cc(Br)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide?
The InChIKey is JKVHOOWVJKPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S/c13-7-3-4-9(8(6-7)11(14)16)15-12(17)10-2-1-5-18-10/h1-6H,(H2,14,16)(H,15,17).
What are the key properties of N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide?
N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 141087470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).