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

C14H14BrNO2S — CID 1245830

IUPAC5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-5-3-2-4-10(11)8-9-16-14(17)12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyLYPNJDHSOWLEKX-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.49
Rot. Bonds5

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

5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 1245830) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID1245830
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-5-3-2-4-10(11)8-9-16-14(17)12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyLYPNJDHSOWLEKX-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 1245830) is 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is LYPNJDHSOWLEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-11-5-3-2-4-10(11)8-9-16-14(17)12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 1245830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).