(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide

C18H23F2N3O4S — CID 66563058

IUPAC(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)[C@H]3CCCO3)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C18H23F2N3O4S/c1-17(2)16(21)23-18(3,9-28(17,25)26)11-7-10(8-12(19)14(11)20)22-15(24)13-5-4-6-27-13/h7-8,13H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t13-,18+/m1/s1
InChIKeyNYKPPWOSEHBBRT-ACJLOTCBSA-N
MW415.46 g/mol
LogP1.86
Rot. Bonds3

About (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide

(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide (PubChem CID 66563058) has the molecular formula C18H23F2N3O4S and a molecular weight of 415.46 g/mol. Its IUPAC name is (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide
PubChem CID66563058
Molecular FormulaC18H23F2N3O4S
Molecular Weight415.46 g/mol
Exact Mass415.14
IUPAC Name(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)[C@H]3CCCO3)cc(F)c2F)CS1(=O)=O
InChIInChI=1S/C18H23F2N3O4S/c1-17(2)16(21)23-18(3,9-28(17,25)26)11-7-10(8-12(19)14(11)20)22-15(24)13-5-4-6-27-13/h7-8,13H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t13-,18+/m1/s1
InChIKeyNYKPPWOSEHBBRT-ACJLOTCBSA-N
XLogP1.86
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide (CID 66563058) is (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)[C@H]3CCCO3)cc(F)c2F)CS1(=O)=O.
What is the InChIKey of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide?
The InChIKey is NYKPPWOSEHBBRT-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H23F2N3O4S/c1-17(2)16(21)23-18(3,9-28(17,25)26)11-7-10(8-12(19)14(11)20)22-15(24)13-5-4-6-27-13/h7-8,13H,4-6,9H2,1-3H3,(H2,21,23)(H,22,24)/t13-,18+/m1/s1.
What are the key properties of (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]oxolane-2-carboxamide is sourced from PubChem (CID 66563058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).