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

C12H10BrNOS — CID 55027767

IUPACN-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccsc2)cc1Br
InChIInChI=1S/C12H10BrNOS/c1-8-2-3-10(6-11(8)13)14-12(15)9-4-5-16-7-9/h2-7H,1H3,(H,14,15)
InChIKeyOMKSKMLLKRGDJD-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.07
Rot. Bonds2

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

N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide (PubChem CID 55027767) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
PubChem CID55027767
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC NameN-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccsc2)cc1Br
InChIInChI=1S/C12H10BrNOS/c1-8-2-3-10(6-11(8)13)14-12(15)9-4-5-16-7-9/h2-7H,1H3,(H,14,15)
InChIKeyOMKSKMLLKRGDJD-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

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
3-[2-methyl-5-(thiophene-3-carbonylamino)phenyl]prop-2-enoic acid
CID 77011726
1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 78874516
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-(3-bromo-4-methylphenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698722
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-[4-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]thiophene-3-carboxamide
CID 58629799
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
N-(3-bromo-5-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 11437936

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide (CID 55027767) is N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide is Cc1ccc(NC(=O)c2ccsc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is OMKSKMLLKRGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c1-8-2-3-10(6-11(8)13)14-12(15)9-4-5-16-7-9/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide?
N-(3-bromo-4-methylphenyl)thiophene-3-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-(3-bromo-4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 55027767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).