4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide

C18H22F4N2O2S — CID 86975297

IUPAC4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(N2CCSCC2)CCCC1)c1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C18H22F4N2O2S/c19-13-9-12(26-17(21)22)10-14(20)15(13)16(25)23-11-18(3-1-2-4-18)24-5-7-27-8-6-24/h9-10,17H,1-8,11H2,(H,23,25)
InChIKeySFULFGDZABKBRV-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.66
Rot. Bonds6

About 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide

4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide (PubChem CID 86975297) has the molecular formula C18H22F4N2O2S and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
PubChem CID86975297
Molecular FormulaC18H22F4N2O2S
Molecular Weight406.45 g/mol
Exact Mass406.13
IUPAC Name4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
SMILESO=C(NCC1(N2CCSCC2)CCCC1)c1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C18H22F4N2O2S/c19-13-9-12(26-17(21)22)10-14(20)15(13)16(25)23-11-18(3-1-2-4-18)24-5-7-27-8-6-24/h9-10,17H,1-8,11H2,(H,23,25)
InChIKeySFULFGDZABKBRV-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide (CID 86975297) is 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide is O=C(NCC1(N2CCSCC2)CCCC1)c1c(F)cc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
The InChIKey is SFULFGDZABKBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O2S/c19-13-9-12(26-17(21)22)10-14(20)15(13)16(25)23-11-18(3-1-2-4-18)24-5-7-27-8-6-24/h9-10,17H,1-8,11H2,(H,23,25).
What are the key properties of 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide?
4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,6-difluoro-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 86975297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).