3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide

C15H15F2NO3S — CID 111519591

IUPAC3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
SMILESCC(O)(CNC(=O)c1sccc1OC(F)F)c1ccccc1
InChIInChI=1S/C15H15F2NO3S/c1-15(20,10-5-3-2-4-6-10)9-18-13(19)12-11(7-8-22-12)21-14(16)17/h2-8,14,20H,9H2,1H3,(H,18,19)
InChIKeyRWMLUFCRMSZYJX-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.99
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide

3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide (PubChem CID 111519591) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
PubChem CID111519591
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC Name3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
SMILESCC(O)(CNC(=O)c1sccc1OC(F)F)c1ccccc1
InChIInChI=1S/C15H15F2NO3S/c1-15(20,10-5-3-2-4-6-10)9-18-13(19)12-11(7-8-22-12)21-14(16)17/h2-8,14,20H,9H2,1H3,(H,18,19)
InChIKeyRWMLUFCRMSZYJX-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
CID 95905718
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
2-[3-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 111334767
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95901689
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide (CID 111519591) is 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide is CC(O)(CNC(=O)c1sccc1OC(F)F)c1ccccc1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is RWMLUFCRMSZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-15(20,10-5-3-2-4-6-10)9-18-13(19)12-11(7-8-22-12)21-14(16)17/h2-8,14,20H,9H2,1H3,(H,18,19).
What are the key properties of 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide?
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 111519591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).