N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide

C19H24FN3O4S — CID 90289753

IUPACN-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide
SMILESC[C@@]1(c2cc(NC(=O)CC3CC3)ccc2F)CS(=O)(=O)[C@]2(CCOC2)C(N)=N1
InChIInChI=1S/C19H24FN3O4S/c1-18(11-28(25,26)19(17(21)23-18)6-7-27-10-19)14-9-13(4-5-15(14)20)22-16(24)8-12-2-3-12/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1
InChIKeyROAGDRLNOLKMTL-OALUTQOASA-N
MW409.48 g/mol
LogP1.72
Rot. Bonds4

About N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide

N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide (PubChem CID 90289753) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide
PubChem CID90289753
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC NameN-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide
SMILESC[C@@]1(c2cc(NC(=O)CC3CC3)ccc2F)CS(=O)(=O)[C@]2(CCOC2)C(N)=N1
InChIInChI=1S/C19H24FN3O4S/c1-18(11-28(25,26)19(17(21)23-18)6-7-27-10-19)14-9-13(4-5-15(14)20)22-16(24)8-12-2-3-12/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1
InChIKeyROAGDRLNOLKMTL-OALUTQOASA-N
XLogP1.72
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide?
The IUPAC name of N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide (CID 90289753) is N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide is C[C@@]1(c2cc(NC(=O)CC3CC3)ccc2F)CS(=O)(=O)[C@]2(CCOC2)C(N)=N1.
What is the InChIKey of N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide?
The InChIKey is ROAGDRLNOLKMTL-OALUTQOASA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-18(11-28(25,26)19(17(21)23-18)6-7-27-10-19)14-9-13(4-5-15(14)20)22-16(24)8-12-2-3-12/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,21,23)(H,22,24)/t18-,19-/m0/s1.
What are the key properties of N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide?
N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide has a molecular weight of 409.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-2-cyclopropylacetamide is sourced from PubChem (CID 90289753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).