2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide

C17H24F2N2O6S — CID 55674589

IUPAC2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1OC(F)F
InChIInChI=1S/C17H24F2N2O6S/c1-11-9-21(10-12(2)26-11)28(23,24)8-7-20-16(22)13-5-4-6-14(25-3)15(13)27-17(18)19/h4-6,11-12,17H,7-10H2,1-3H3,(H,20,22)
InChIKeyHMPYEOSVYPXVBH-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.47
Rot. Bonds8

About 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide

2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide (PubChem CID 55674589) has the molecular formula C17H24F2N2O6S and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide
PubChem CID55674589
Molecular FormulaC17H24F2N2O6S
Molecular Weight422.45 g/mol
Exact Mass422.13
IUPAC Name2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1OC(F)F
InChIInChI=1S/C17H24F2N2O6S/c1-11-9-21(10-12(2)26-11)28(23,24)8-7-20-16(22)13-5-4-6-14(25-3)15(13)27-17(18)19/h4-6,11-12,17H,7-10H2,1-3H3,(H,20,22)
InChIKeyHMPYEOSVYPXVBH-UHFFFAOYSA-N
XLogP1.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55639451
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55763452
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
2-(difluoromethoxy)-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 78777512
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
CID 51154491
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29303216

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide (CID 55674589) is 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide?
The InChIKey is HMPYEOSVYPXVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O6S/c1-11-9-21(10-12(2)26-11)28(23,24)8-7-20-16(22)13-5-4-6-14(25-3)15(13)27-17(18)19/h4-6,11-12,17H,7-10H2,1-3H3,(H,20,22).
What are the key properties of 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide?
2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide has a molecular weight of 422.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide is sourced from PubChem (CID 55674589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).