5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide

C15H15BrN2O2S — CID 79914678

IUPAC5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)sc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-9-7-12(21-13(9)16)14(19)17-11-6-4-5-10(8-11)15(20)18(2)3/h4-8H,1-3H3,(H,17,19)
InChIKeyILXVKLSJFHSKMH-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 79914678) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID79914678
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)sc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-9-7-12(21-13(9)16)14(19)17-11-6-4-5-10(8-11)15(20)18(2)3/h4-8H,1-3H3,(H,17,19)
InChIKeyILXVKLSJFHSKMH-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
N-[3-(dimethylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 32626824
N-[3-(dimethylcarbamoyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 29331999
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 79916381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide (CID 79914678) is 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)sc1Br.
What is the InChIKey of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is ILXVKLSJFHSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-9-7-12(21-13(9)16)14(19)17-11-6-4-5-10(8-11)15(20)18(2)3/h4-8H,1-3H3,(H,17,19).
What are the key properties of 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79914678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).