N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide

C16H15F2NO2S — CID 97141233

IUPACN-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc([C@H]2CCCO2)s1
InChIInChI=1S/C16H15F2NO2S/c17-11-4-3-10(8-12(11)18)9-19-16(20)15-6-5-14(22-15)13-2-1-7-21-13/h3-6,8,13H,1-2,7,9H2,(H,19,20)/t13-/m1/s1
InChIKeyBESOHEFKJMUDTO-CYBMUJFWSA-N
MW323.36 g/mol
LogP3.81
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide (PubChem CID 97141233) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
PubChem CID97141233
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc([C@H]2CCCO2)s1
InChIInChI=1S/C16H15F2NO2S/c17-11-4-3-10(8-12(11)18)9-19-16(20)15-6-5-14(22-15)13-2-1-7-21-13/h3-6,8,13H,1-2,7,9H2,(H,19,20)/t13-/m1/s1
InChIKeyBESOHEFKJMUDTO-CYBMUJFWSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97126378
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 74250771
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 131889426
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72886191
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97147711
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide (CID 97141233) is N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccc([C@H]2CCCO2)s1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
The InChIKey is BESOHEFKJMUDTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-11-4-3-10(8-12(11)18)9-19-16(20)15-6-5-14(22-15)13-2-1-7-21-13/h3-6,8,13H,1-2,7,9H2,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97141233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).