2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide

C21H26N2O4S — CID 133230238

IUPAC2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-7-5-8-16(2)19(15)23-14-6-13-21(3,28(23,25)26)20(24)22-17-9-11-18(27-4)12-10-17/h5,7-12H,6,13-14H2,1-4H3,(H,22,24)
InChIKeyBJPMGALWJMSIBS-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.64
Rot. Bonds4

About 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide

2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide (PubChem CID 133230238) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
PubChem CID133230238
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-7-5-8-16(2)19(15)23-14-6-13-21(3,28(23,25)26)20(24)22-17-9-11-18(27-4)12-10-17/h5,7-12H,6,13-14H2,1-4H3,(H,22,24)
InChIKeyBJPMGALWJMSIBS-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783185
(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783240
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
(5R)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazolidine-5-carboxamide
CID 125064057
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
CID 133230237
N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
CID 133230277
2,6-dimethyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230278
(5S)-N-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783644
(6S)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 100783690

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide (CID 133230238) is 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide is COc1ccc(NC(=O)C2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)cc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
The InChIKey is BJPMGALWJMSIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-7-5-8-16(2)19(15)23-14-6-13-21(3,28(23,25)26)20(24)22-17-9-11-18(27-4)12-10-17/h5,7-12H,6,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide?
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide is sourced from PubChem (CID 133230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).