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

C19H26F2N2O2S — CID 18148355

IUPAC4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C19H26F2N2O2S/c20-18(21)26-16-6-4-15(5-7-16)17(24)22-14-19(8-2-1-3-9-19)23-10-12-25-13-11-23/h4-7,18H,1-3,8-14H2,(H,22,24)
InChIKeyDCEIWGSYMUYXQO-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.77
Rot. Bonds6

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

4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 18148355) has the molecular formula C19H26F2N2O2S and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID18148355
Molecular FormulaC19H26F2N2O2S
Molecular Weight384.49 g/mol
Exact Mass384.17
IUPAC Name4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C19H26F2N2O2S/c20-18(21)26-16-6-4-15(5-7-16)17(24)22-14-19(8-2-1-3-9-19)23-10-12-25-13-11-23/h4-7,18H,1-3,8-14H2,(H,22,24)
InChIKeyDCEIWGSYMUYXQO-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
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
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 39429392
N-[4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9405434
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
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
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 18148355) is 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is DCEIWGSYMUYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2S/c20-18(21)26-16-6-4-15(5-7-16)17(24)22-14-19(8-2-1-3-9-19)23-10-12-25-13-11-23/h4-7,18H,1-3,8-14H2,(H,22,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 384.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 18148355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).