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

C12H10BrNOS — CID 743467

IUPACN-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ccc1Br
InChIInChI=1S/C12H10BrNOS/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChIKeyLHTHPYBAVXSRKE-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.07
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide (PubChem CID 743467) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
PubChem CID743467
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC NameN-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ccc1Br
InChIInChI=1S/C12H10BrNOS/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChIKeyLHTHPYBAVXSRKE-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
(E)-3-(4-bromo-3-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2205267
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511161
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-[1-(3-bromo-4-methylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55555316

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide (CID 743467) is N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is LHTHPYBAVXSRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15).
What are the key properties of N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide?
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 296.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 743467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).