4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide

C20H30F2N2O4S — CID 96534807

IUPAC4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
SMILESCCC(CC)[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1
InChIInChI=1S/C20H30F2N2O4S/c1-3-16(4-2)18(24-9-11-28-12-10-24)13-23-19(25)17-7-5-15(6-8-17)14-29(26,27)20(21)22/h5-8,16,18,20H,3-4,9-14H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyISYUKOAQSKVSSN-SFHVURJKSA-N
MW432.53 g/mol
LogP2.69
Rot. Bonds10

About 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide

4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide (PubChem CID 96534807) has the molecular formula C20H30F2N2O4S and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
PubChem CID96534807
Molecular FormulaC20H30F2N2O4S
Molecular Weight432.53 g/mol
Exact Mass432.19
IUPAC Name4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
SMILESCCC(CC)[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1
InChIInChI=1S/C20H30F2N2O4S/c1-3-16(4-2)18(24-9-11-28-12-10-24)13-23-19(25)17-7-5-15(6-8-17)14-29(26,27)20(21)22/h5-8,16,18,20H,3-4,9-14H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyISYUKOAQSKVSSN-SFHVURJKSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 46539633
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 55550061
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51887858
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide (CID 96534807) is 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide is CCC(CC)[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1.
What is the InChIKey of 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide?
The InChIKey is ISYUKOAQSKVSSN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30F2N2O4S/c1-3-16(4-2)18(24-9-11-28-12-10-24)13-23-19(25)17-7-5-15(6-8-17)14-29(26,27)20(21)22/h5-8,16,18,20H,3-4,9-14H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide?
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide has a molecular weight of 432.53 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide is sourced from PubChem (CID 96534807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).