N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide

C17H17F2NO3S — CID 97126378

IUPACN-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc([C@@H]3CCCO3)s2)c1F
InChIInChI=1S/C17H17F2NO3S/c1-22-13-5-4-11(18)10(16(13)19)9-20-17(21)15-7-6-14(24-15)12-3-2-8-23-12/h4-7,12H,2-3,8-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyYHMOSVCFFCTCML-LBPRGKRZSA-N
MW353.39 g/mol
LogP3.82
Rot. Bonds5

About N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide

N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide (PubChem CID 97126378) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
PubChem CID97126378
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc([C@@H]3CCCO3)s2)c1F
InChIInChI=1S/C17H17F2NO3S/c1-22-13-5-4-11(18)10(16(13)19)9-20-17(21)15-7-6-14(24-15)12-3-2-8-23-12/h4-7,12H,2-3,8-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyYHMOSVCFFCTCML-LBPRGKRZSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]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

N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97141233
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 74250771
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
N-[2-(5-methylfuran-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72886191
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 30897706
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97137518
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide (CID 97126378) is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide is COc1ccc(F)c(CNC(=O)c2ccc([C@@H]3CCCO3)s2)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The InChIKey is YHMOSVCFFCTCML-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-22-13-5-4-11(18)10(16(13)19)9-20-17(21)15-7-6-14(24-15)12-3-2-8-23-12/h4-7,12H,2-3,8-9H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97126378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).