N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C19H19F2NO3S — CID 43011380

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H19F2NO3S/c20-19(21)26-17-9-5-14(6-10-17)22-18(23)13-3-7-15(8-4-13)25-12-16-2-1-11-24-16/h3-10,16,19H,1-2,11-12H2,(H,22,23)
InChIKeyINMRVWWHJZQEJF-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.81
Rot. Bonds7

About N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43011380) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID43011380
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H19F2NO3S/c20-19(21)26-17-9-5-14(6-10-17)22-18(23)13-3-7-15(8-4-13)25-12-16-2-1-11-24-16/h3-10,16,19H,1-2,11-12H2,(H,22,23)
InChIKeyINMRVWWHJZQEJF-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 43011380) is N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is INMRVWWHJZQEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c20-19(21)26-17-9-5-14(6-10-17)22-18(23)13-3-7-15(8-4-13)25-12-16-2-1-11-24-16/h3-10,16,19H,1-2,11-12H2,(H,22,23).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 379.43 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43011380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).