4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

C19H26F2N2O4S — CID 8502045

IUPAC4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H26F2N2O4S/c20-18(21)28(25,26)16-6-4-15(5-7-16)17(24)22-14-19(8-2-1-3-9-19)23-10-12-27-13-11-23/h4-7,18H,1-3,8-14H2,(H,22,24)
InChIKeyLGSVQYCQFZAERH-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.45
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 8502045) has the molecular formula C19H26F2N2O4S and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID8502045
Molecular FormulaC19H26F2N2O4S
Molecular Weight416.49 g/mol
Exact Mass416.16
IUPAC Name4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H26F2N2O4S/c20-18(21)28(25,26)16-6-4-15(5-7-16)17(24)22-14-19(8-2-1-3-9-19)23-10-12-27-13-11-23/h4-7,18H,1-3,8-14H2,(H,22,24)
InChIKeyLGSVQYCQFZAERH-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18148355
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
4-(difluoromethylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16572718
4-(difluoromethylsulfonyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]aniline
CID 133345973
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 39429392
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 8502045) is 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is LGSVQYCQFZAERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O4S/c20-18(21)28(25,26)16-6-4-15(5-7-16)17(24)22-14-19(8-2-1-3-9-19)23-10-12-27-13-11-23/h4-7,18H,1-3,8-14H2,(H,22,24).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 416.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 8502045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).