3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide

C22H25F2NO4S — CID 86956755

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)Nc1cccc(CS(=O)C2CCOCC2)c1
InChIInChI=1S/C22H25F2NO4S/c23-22(24)29-19-7-4-16(5-8-19)6-9-21(26)25-18-3-1-2-17(14-18)15-30(27)20-10-12-28-13-11-20/h1-5,7-8,14,20,22H,6,9-13,15H2,(H,25,26)
InChIKeyQQCUSGPHDAVVTL-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.29
Rot. Bonds9

About 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide (PubChem CID 86956755) has the molecular formula C22H25F2NO4S and a molecular weight of 437.51 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
PubChem CID86956755
Molecular FormulaC22H25F2NO4S
Molecular Weight437.51 g/mol
Exact Mass437.15
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)Nc1cccc(CS(=O)C2CCOCC2)c1
InChIInChI=1S/C22H25F2NO4S/c23-22(24)29-19-7-4-16(5-8-19)6-9-21(26)25-18-3-1-2-17(14-18)15-30(27)20-10-12-28-13-11-20/h1-5,7-8,14,20,22H,6,9-13,15H2,(H,25,26)
InChIKeyQQCUSGPHDAVVTL-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956783
2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide
CID 86956969
4-(4-ethylphenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-4-oxobutanamide
CID 86958714
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide
CID 86956906
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956718
3-bromo-5-fluoro-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 86956894
2-[4-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110879156
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
1-benzyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]triazole-4-carboxamide
CID 86956725
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide (CID 86956755) is 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide is O=C(CCc1ccc(OC(F)F)cc1)Nc1cccc(CS(=O)C2CCOCC2)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide?
The InChIKey is QQCUSGPHDAVVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO4S/c23-22(24)29-19-7-4-16(5-8-19)6-9-21(26)25-18-3-1-2-17(14-18)15-30(27)20-10-12-28-13-11-20/h1-5,7-8,14,20,22H,6,9-13,15H2,(H,25,26).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide has a molecular weight of 437.51 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide is sourced from PubChem (CID 86956755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).