3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide

C10H13F2NO3S — CID 111433716

IUPAC3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
SMILESCC(O)CCNC(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H13F2NO3S/c1-6(14)2-4-13-9(15)8-7(3-5-17-8)16-10(11)12/h3,5-6,10,14H,2,4H2,1H3,(H,13,15)
InChIKeyCPLBDWOTSQAOGM-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.85
Rot. Bonds6

About 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide

3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide (PubChem CID 111433716) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
PubChem CID111433716
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
SMILESCC(O)CCNC(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H13F2NO3S/c1-6(14)2-4-13-9(15)8-7(3-5-17-8)16-10(11)12/h3,5-6,10,14H,2,4H2,1H3,(H,13,15)
InChIKeyCPLBDWOTSQAOGM-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
CID 111463271
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95901689
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
CID 95905718
N-(3-aminobutyl)-3-(difluoromethoxy)-5-methylthiophene-2-carboxamide
CID 119499716
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454350
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119459623
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide (CID 111433716) is 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide is CC(O)CCNC(=O)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide?
The InChIKey is CPLBDWOTSQAOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-6(14)2-4-13-9(15)8-7(3-5-17-8)16-10(11)12/h3,5-6,10,14H,2,4H2,1H3,(H,13,15).
What are the key properties of 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide?
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide is sourced from PubChem (CID 111433716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).