2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide

C24H30F2N2O4S — CID 139541882

IUPAC2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide
SMILESCC1CC[C@H](C2C=CC=CC2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)NC2CC(O)C2)cc1F
InChIInChI=1S/C24H30F2N2O4S/c1-15-7-8-23(16-5-3-2-4-6-16)33(31,32)28(15)14-18-10-21(25)17(9-22(18)26)11-24(30)27-19-12-20(29)13-19/h2-5,9-10,15-16,19-20,23,29H,6-8,11-14H2,1H3,(H,27,30)/t15?,16?,19?,20?,23-/m1/s1
InChIKeyOXUSGTSTUJNSET-DICQICPKSA-N
MW480.58 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide

2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide (PubChem CID 139541882) has the molecular formula C24H30F2N2O4S and a molecular weight of 480.58 g/mol. Its IUPAC name is 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide
PubChem CID139541882
Molecular FormulaC24H30F2N2O4S
Molecular Weight480.58 g/mol
Exact Mass480.19
IUPAC Name2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide
SMILESCC1CC[C@H](C2C=CC=CC2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)NC2CC(O)C2)cc1F
InChIInChI=1S/C24H30F2N2O4S/c1-15-7-8-23(16-5-3-2-4-6-16)33(31,32)28(15)14-18-10-21(25)17(9-22(18)26)11-24(30)27-19-12-20(29)13-19/h2-5,9-10,15-16,19-20,23,29H,6-8,11-14H2,1H3,(H,27,30)/t15?,16?,19?,20?,23-/m1/s1
InChIKeyOXUSGTSTUJNSET-DICQICPKSA-N
XLogP2.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide 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

2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-N-(3-hydroxycyclobutyl)acetamide
CID 118223028
2-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetic acid
CID 118222985
methyl 1-[4-[[(3S,6R)-6-cyclohexa-2,4-dien-1-yl-3-methylthiazinan-2-yl]methyl]-2,5-difluorophenyl]-3-oxocyclobutane-1-carboxylate
CID 146593528
[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methanol
CID 129114847
1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylic acid
CID 135325907
1-[4-[3-fluoro-4-[(3-methyl-1,1-dioxo-6-pyridin-2-ylthiazinan-2-yl)methyl]phenyl]piperazin-1-yl]ethanone
CID 122636522
6-cyclohexyl-2-[[2,5-difluoro-4-[6-(1,2,4-triazol-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]-3-methylthiazinane 1,1-dioxide
CID 118234044
N-[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]ethyl]thiadiazole-4-carboxamide
CID 129260596
N-[4-cyano-4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclohexyl]acetamide
CID 118232702
1-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-3-hydroxycyclobutane-1-carboxamide
CID 129114739
1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]ethylazanium chloride
CID 135325905
methyl 4-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxane-4-carboxylate
CID 118223051

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide?
The IUPAC name of 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide (CID 139541882) is 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide.
What is the SMILES notation for 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide?
The canonical SMILES for 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide is CC1CC[C@H](C2C=CC=CC2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)NC2CC(O)C2)cc1F.
What is the InChIKey of 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide?
The InChIKey is OXUSGTSTUJNSET-DICQICPKSA-N. The full InChI is InChI=1S/C24H30F2N2O4S/c1-15-7-8-23(16-5-3-2-4-6-16)33(31,32)28(15)14-18-10-21(25)17(9-22(18)26)11-24(30)27-19-12-20(29)13-19/h2-5,9-10,15-16,19-20,23,29H,6-8,11-14H2,1H3,(H,27,30)/t15?,16?,19?,20?,23-/m1/s1.
What are the key properties of 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide?
2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide has a molecular weight of 480.58 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6R)-6-cyclohexa-2,4-dien-1-yl-3-methyl-1,1-dioxothiazinan-2-yl]methyl]-2,5-difluorophenyl]-N-(3-hydroxycyclobutyl)acetamide is sourced from PubChem (CID 139541882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).