N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide

C18H23F3N4O3S — CID 85472573

IUPACN-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
SMILESCN1CCC2(CC1)C(N)=N[C@](C)(c1cc(NC(=O)C(F)F)ccc1F)CS2(=O)=O
InChIInChI=1S/C18H23F3N4O3S/c1-17(12-9-11(3-4-13(12)19)23-15(26)14(20)21)10-29(27,28)18(16(22)24-17)5-7-25(2)8-6-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,22,24)(H,23,26)/t17-/m0/s1
InChIKeyDCYYANGPQBXCIX-KRWDZBQOSA-N
MW432.47 g/mol
LogP1.49
Rot. Bonds3

About N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide

N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide (PubChem CID 85472573) has the molecular formula C18H23F3N4O3S and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
PubChem CID85472573
Molecular FormulaC18H23F3N4O3S
Molecular Weight432.47 g/mol
Exact Mass432.14
IUPAC NameN-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
SMILESCN1CCC2(CC1)C(N)=N[C@](C)(c1cc(NC(=O)C(F)F)ccc1F)CS2(=O)=O
InChIInChI=1S/C18H23F3N4O3S/c1-17(12-9-11(3-4-13(12)19)23-15(26)14(20)21)10-29(27,28)18(16(22)24-17)5-7-25(2)8-6-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,22,24)(H,23,26)/t17-/m0/s1
InChIKeyDCYYANGPQBXCIX-KRWDZBQOSA-N
XLogP1.49
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-3-methyloxetane-3-carboxamide
CID 66562861
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-cyanocyclopropane-1-carboxamide
CID 66562862
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide
CID 66562863
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]cyclobutanecarboxamide
CID 66562866
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2-methoxyacetamide
CID 66562957
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
CID 66562958
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluorocyclobutane-1-carboxamide
CID 66562959
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2-methoxyacetamide
CID 66563057
N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1lambda6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2-methoxyacetamide
CID 85472574
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,4-difluorobenzamide
CID 89094861
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]propanamide
CID 89094874
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 89094878

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide (CID 85472573) is N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide is CN1CCC2(CC1)C(N)=N[C@](C)(c1cc(NC(=O)C(F)F)ccc1F)CS2(=O)=O.
What is the InChIKey of N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide?
The InChIKey is DCYYANGPQBXCIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23F3N4O3S/c1-17(12-9-11(3-4-13(12)19)23-15(26)14(20)21)10-29(27,28)18(16(22)24-17)5-7-25(2)8-6-18/h3-4,9,14H,5-8,10H2,1-2H3,(H2,22,24)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide?
N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide has a molecular weight of 432.47 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 85472573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).