2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

C15H20F5N3O2S — CID 139268522

IUPAC2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(S(F)(F)(F)(F)F)cc2)N1
InChIInChI=1S/C15H20F5N3O2S/c1-3-13-22-12(8-14(24)23-13)15(25)21-9(2)10-4-6-11(7-5-10)26(16,17,18,19)20/h4-7,9,12-13,22H,3,8H2,1-2H3,(H,21,25)(H,23,24)/t9-,12?,13?/m1/s1
InChIKeyRKODKVJVJSIJPM-UHEGKEBESA-N
MW401.40 g/mol
LogP3.74
Rot. Bonds5

About 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268522) has the molecular formula C15H20F5N3O2S and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268522
Molecular FormulaC15H20F5N3O2S
Molecular Weight401.40 g/mol
Exact Mass401.12
IUPAC Name2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(S(F)(F)(F)(F)F)cc2)N1
InChIInChI=1S/C15H20F5N3O2S/c1-3-13-22-12(8-14(24)23-13)15(25)21-9(2)10-4-6-11(7-5-10)26(16,17,18,19)20/h4-7,9,12-13,22H,3,8H2,1-2H3,(H,21,25)(H,23,24)/t9-,12?,13?/m1/s1
InChIKeyRKODKVJVJSIJPM-UHEGKEBESA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide with MolForge

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Related Compounds

2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268044
2-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-1,3-diazinane-4-carboxamide
CID 139268449
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268453
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268346
N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268249
N-[1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268014
2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268162
(2R)-5-oxo-N-[(1R)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95335645
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268522) is 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is CCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(S(F)(F)(F)(F)F)cc2)N1.
What is the InChIKey of 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is RKODKVJVJSIJPM-UHEGKEBESA-N. The full InChI is InChI=1S/C15H20F5N3O2S/c1-3-13-22-12(8-14(24)23-13)15(25)21-9(2)10-4-6-11(7-5-10)26(16,17,18,19)20/h4-7,9,12-13,22H,3,8H2,1-2H3,(H,21,25)(H,23,24)/t9-,12?,13?/m1/s1.
What are the key properties of 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).