3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide

C15H17F2NO4S — CID 95905718

IUPAC3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
SMILESCc1cc([C@](C)(O)CNC(=O)c2sccc2OC(F)F)c(C)o1
InChIInChI=1S/C15H17F2NO4S/c1-8-6-10(9(2)21-8)15(3,20)7-18-13(19)12-11(4-5-23-12)22-14(16)17/h4-6,14,20H,7H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyFXQHZVDNVIQHJH-OAHLLOKOSA-N
MW345.37 g/mol
LogP3.20
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide

3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 95905718) has the molecular formula C15H17F2NO4S and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
PubChem CID95905718
Molecular FormulaC15H17F2NO4S
Molecular Weight345.37 g/mol
Exact Mass345.08
IUPAC Name3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
SMILESCc1cc([C@](C)(O)CNC(=O)c2sccc2OC(F)F)c(C)o1
InChIInChI=1S/C15H17F2NO4S/c1-8-6-10(9(2)21-8)15(3,20)7-18-13(19)12-11(4-5-23-12)22-14(16)17/h4-6,14,20H,7H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyFXQHZVDNVIQHJH-OAHLLOKOSA-N
XLogP3.20
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide (CID 95905718) is 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide is Cc1cc([C@](C)(O)CNC(=O)c2sccc2OC(F)F)c(C)o1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide?
The InChIKey is FXQHZVDNVIQHJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17F2NO4S/c1-8-6-10(9(2)21-8)15(3,20)7-18-13(19)12-11(4-5-23-12)22-14(16)17/h4-6,14,20H,7H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide?
3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 95905718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).