N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide

C15H15F2NO3S — CID 111335366

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO3S/c1-15(20,10-4-3-9(16)7-11(10)17)8-18-14(19)13-12(21-2)5-6-22-13/h3-7,20H,8H2,1-2H3,(H,18,19)
InChIKeyNNZGBAYUDXZUHU-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide (PubChem CID 111335366) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
PubChem CID111335366
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO3S/c1-15(20,10-4-3-9(16)7-11(10)17)8-18-14(19)13-12(21-2)5-6-22-13/h3-7,20H,8H2,1-2H3,(H,18,19)
InChIKeyNNZGBAYUDXZUHU-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111335370
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
N-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-(2-hydroxy-2,5-dimethylhexyl)-3-methoxythiophene-2-carboxamide
CID 111485302
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide (CID 111335366) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide?
The InChIKey is NNZGBAYUDXZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-15(20,10-4-3-9(16)7-11(10)17)8-18-14(19)13-12(21-2)5-6-22-13/h3-7,20H,8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 111335366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).