3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide

C14H12F3NO3S — CID 95901689

IUPAC3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1cccc(F)c1)c1sccc1OC(F)F
InChIInChI=1S/C14H12F3NO3S/c15-9-3-1-2-8(6-9)10(19)7-18-13(20)12-11(4-5-22-12)21-14(16)17/h1-6,10,14,19H,7H2,(H,18,20)/t10-/m0/s1
InChIKeyTXLZCHTXROTUAH-JTQLQIEISA-N
MW331.32 g/mol
LogP2.95
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide

3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide (PubChem CID 95901689) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
PubChem CID95901689
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC Name3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1cccc(F)c1)c1sccc1OC(F)F
InChIInChI=1S/C14H12F3NO3S/c15-9-3-1-2-8(6-9)10(19)7-18-13(20)12-11(4-5-22-12)21-14(16)17/h1-6,10,14,19H,7H2,(H,18,20)/t10-/m0/s1
InChIKeyTXLZCHTXROTUAH-JTQLQIEISA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120626362
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
CID 167863503
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide
CID 56782034
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide (CID 95901689) is 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide is O=C(NC[C@H](O)c1cccc(F)c1)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
The InChIKey is TXLZCHTXROTUAH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12F3NO3S/c15-9-3-1-2-8(6-9)10(19)7-18-13(20)12-11(4-5-22-12)21-14(16)17/h1-6,10,14,19H,7H2,(H,18,20)/t10-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide?
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95901689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).