N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide

C15H15F2NO2S — CID 78770266

IUPACN-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H15F2NO2S/c16-15(17)20-13-8-2-1-7-12(13)18-14(19)9-3-5-11-6-4-10-21-11/h1-2,4,6-8,10,15H,3,5,9H2,(H,18,19)
InChIKeyOVGABVKUKUNSEA-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide

N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 78770266) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID78770266
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC NameN-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H15F2NO2S/c16-15(17)20-13-8-2-1-7-12(13)18-14(19)9-3-5-11-6-4-10-21-11/h1-2,4,6-8,10,15H,3,5,9H2,(H,18,19)
InChIKeyOVGABVKUKUNSEA-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47534873
N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 33073670
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]-4-thiophen-2-ylbutanamide
CID 56826258
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962812
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
N-[2-(difluoromethoxy)phenyl]-2-thiophen-3-ylacetamide
CID 7941457
N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide
CID 60564257

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide (CID 78770266) is N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is OVGABVKUKUNSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c16-15(17)20-13-8-2-1-7-12(13)18-14(19)9-3-5-11-6-4-10-21-11/h1-2,4,6-8,10,15H,3,5,9H2,(H,18,19).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide?
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 311.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 78770266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).