6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide

C21H24N2O4S2 — CID 133230237

IUPAC6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(c2ccccc2)S1(=O)=O
InChIInChI=1S/C21H24N2O4S2/c1-21(12-5-13-23(29(21,25)26)17-6-3-2-4-7-17)20(24)22-16-8-10-18(11-9-16)27-19-14-28-15-19/h2-4,6-11,19H,5,12-15H2,1H3,(H,22,24)
InChIKeyPBZOGOPSRJQJKV-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.51
Rot. Bonds5

About 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide

6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide (PubChem CID 133230237) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
PubChem CID133230237
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC Name6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(c2ccccc2)S1(=O)=O
InChIInChI=1S/C21H24N2O4S2/c1-21(12-5-13-23(29(21,25)26)17-6-3-2-4-7-17)20(24)22-16-8-10-18(11-9-16)27-19-14-28-15-19/h2-4,6-11,19H,5,12-15H2,1H3,(H,22,24)
InChIKeyPBZOGOPSRJQJKV-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
(1R,5S)-2,2-dioxo-3-phenyl-N-[4-(thietan-3-yloxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063072
(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
CID 100783474
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
1-phenyl-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781195
2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230240
(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 125063180
1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780604
(1S,5S)-3-benzyl-2,2-dioxo-N-[4-(thietan-3-yloxy)phenyl]-2λ6-thia-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 125063176
8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779251

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide?
The IUPAC name of 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide (CID 133230237) is 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide.
What is the SMILES notation for 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide?
The canonical SMILES for 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide is CC1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(c2ccccc2)S1(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide?
The InChIKey is PBZOGOPSRJQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-21(12-5-13-23(29(21,25)26)17-6-3-2-4-7-17)20(24)22-16-8-10-18(11-9-16)27-19-14-28-15-19/h2-4,6-11,19H,5,12-15H2,1H3,(H,22,24).
What are the key properties of 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide?
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide is sourced from PubChem (CID 133230237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).