5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

C14H14BrNO2S — CID 17329824

IUPAC5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H14BrNO2S/c1-9(10-4-3-5-11(8-10)18-2)16-14(17)12-6-7-13(15)19-12/h3-9H,1-2H3,(H,16,17)
InChIKeyWBHGYFYMLHUJJJ-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.01
Rot. Bonds4

About 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 17329824) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID17329824
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H14BrNO2S/c1-9(10-4-3-5-11(8-10)18-2)16-14(17)12-6-7-13(15)19-12/h3-9H,1-2H3,(H,16,17)
InChIKeyWBHGYFYMLHUJJJ-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(1S)-1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 999661
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60629480
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 17329824) is 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1cccc(C(C)NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is WBHGYFYMLHUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(10-4-3-5-11(8-10)18-2)16-14(17)12-6-7-13(15)19-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17329824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).