5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide

C16H17BrFNOS — CID 79987861

IUPAC5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFNOS/c1-4-19(11(3)12-5-7-13(18)8-6-12)16(20)14-9-10(2)15(17)21-14/h5-9,11H,4H2,1-3H3
InChIKeyCXXZWTIRSDCFHL-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.18
Rot. Bonds4

About 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide

5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 79987861) has the molecular formula C16H17BrFNOS and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide
PubChem CID79987861
Molecular FormulaC16H17BrFNOS
Molecular Weight370.29 g/mol
Exact Mass369.02
IUPAC Name5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H17BrFNOS/c1-4-19(11(3)12-5-7-13(18)8-6-12)16(20)14-9-10(2)15(17)21-14/h5-9,11H,4H2,1-3H3
InChIKeyCXXZWTIRSDCFHL-UHFFFAOYSA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 79929205
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
CID 79929208
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794704
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 97028181

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide (CID 79987861) is 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(Br)s1)C(C)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is CXXZWTIRSDCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNOS/c1-4-19(11(3)12-5-7-13(18)8-6-12)16(20)14-9-10(2)15(17)21-14/h5-9,11H,4H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79987861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).