5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide

C14H14BrNO2S — CID 79926894

IUPAC5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H14BrNO2S/c1-9-8-12(19-13(9)15)14(17)16(2)10-6-4-5-7-11(10)18-3/h4-8H,1-3H3
InChIKeyWRXGRDLMBZJLCM-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.10
Rot. Bonds3

About 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide

5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 79926894) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID79926894
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H14BrNO2S/c1-9-8-12(19-13(9)15)14(17)16(2)10-6-4-5-7-11(10)18-3/h4-8H,1-3H3
InChIKeyWRXGRDLMBZJLCM-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79986290
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027611
5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 107735567
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
(2-amino-6-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 81414808
5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 130684536
N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
CID 107027620
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide (CID 79926894) is 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide is COc1ccccc1N(C)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is WRXGRDLMBZJLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9-8-12(19-13(9)15)14(17)16(2)10-6-4-5-7-11(10)18-3/h4-8H,1-3H3.
What are the key properties of 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79926894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).