4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide

C15H16BrNO2S — CID 97417756

IUPAC4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCO[C@@H](CNC(=O)c1cc(Br)cs1)c1ccccc1C
InChIInChI=1S/C15H16BrNO2S/c1-10-5-3-4-6-12(10)13(19-2)8-17-15(18)14-7-11(16)9-20-14/h3-7,9,13H,8H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyYJDDBVQHRKDWIU-ZDUSSCGKSA-N
MW354.27 g/mol
LogP3.94
Rot. Bonds5

About 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide

4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 97417756) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID97417756
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCO[C@@H](CNC(=O)c1cc(Br)cs1)c1ccccc1C
InChIInChI=1S/C15H16BrNO2S/c1-10-5-3-4-6-12(10)13(19-2)8-17-15(18)14-7-11(16)9-20-14/h3-7,9,13H,8H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyYJDDBVQHRKDWIU-ZDUSSCGKSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide (CID 97417756) is 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide is CO[C@@H](CNC(=O)c1cc(Br)cs1)c1ccccc1C.
What is the InChIKey of 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is YJDDBVQHRKDWIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-10-5-3-4-6-12(10)13(19-2)8-17-15(18)14-7-11(16)9-20-14/h3-7,9,13H,8H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 97417756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).