N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide

C13H17F5N2O3S — CID 58136881

IUPACN-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(N2CCOCC2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C13H17F5N2O3S/c1-19(22-2)13(21)10-7-11(20-3-5-23-6-4-20)9-12(8-10)24(14,15,16,17)18/h7-9H,3-6H2,1-2H3
InChIKeyKRILAYWEOVUROY-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.81
Rot. Bonds4

About N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide

N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 58136881) has the molecular formula C13H17F5N2O3S and a molecular weight of 376.35 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID58136881
Molecular FormulaC13H17F5N2O3S
Molecular Weight376.35 g/mol
Exact Mass376.09
IUPAC NameN-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(N2CCOCC2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C13H17F5N2O3S/c1-19(22-2)13(21)10-7-11(20-3-5-23-6-4-20)9-12(8-10)24(14,15,16,17)18/h7-9H,3-6H2,1-2H3
InChIKeyKRILAYWEOVUROY-UHFFFAOYSA-N
XLogP3.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 121171
CID 121171
CID 57791302
CID 57791302
CID 58085698
CID 58085698
CID 58085703
CID 58085703
CID 58085704
CID 58085704
CID 58136786
CID 58136786
CID 58136820
CID 58136820
CID 58136912
CID 58136912
CID 58137469
CID 58137469
CID 89160460
CID 89160460
CID 143619149
CID 143619149
CID 143842848
CID 143842848

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide (CID 58136881) is N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide is CON(C)C(=O)c1cc(N2CCOCC2)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is KRILAYWEOVUROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5N2O3S/c1-19(22-2)13(21)10-7-11(20-3-5-23-6-4-20)9-12(8-10)24(14,15,16,17)18/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide?
N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 376.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-morpholin-4-yl-5-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 58136881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).