5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide

C15H16BrNOS — CID 79929863

IUPAC5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)c1ccccc1C
InChIInChI=1S/C15H16BrNOS/c1-4-17(12-8-6-5-7-10(12)2)15(18)13-9-11(3)14(16)19-13/h5-9H,4H2,1-3H3
InChIKeyKXOHRXRVSRZUAZ-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.79
Rot. Bonds3

About 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide

5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 79929863) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID79929863
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)c1ccccc1C
InChIInChI=1S/C15H16BrNOS/c1-4-17(12-8-6-5-7-10(12)2)15(18)13-9-11(3)14(16)19-13/h5-9H,4H2,1-3H3
InChIKeyKXOHRXRVSRZUAZ-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79986290
N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
3-bromo-N-ethyl-N-(2-methylphenyl)prop-2-ynamide
CID 130642345
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
N-ethyl-3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82829552
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
3-chloro-N-ethyl-N-(2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 4282072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide (CID 79929863) is 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(Br)s1)c1ccccc1C.
What is the InChIKey of 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is KXOHRXRVSRZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-4-17(12-8-6-5-7-10(12)2)15(18)13-9-11(3)14(16)19-13/h5-9H,4H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide?
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 79929863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).