2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide

C23H30N2O4S — CID 133230240

IUPAC2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
SMILESCc1cccc(C)c1N1CCCC(C)(C(=O)Nc2ccc(OC(C)C)cc2)S1(=O)=O
InChIInChI=1S/C23H30N2O4S/c1-16(2)29-20-12-10-19(11-13-20)24-22(26)23(5)14-7-15-25(30(23,27)28)21-17(3)8-6-9-18(21)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,24,26)
InChIKeyIMBXWGBOVQKCLV-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.42
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide

2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide (PubChem CID 133230240) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
PubChem CID133230240
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
SMILESCc1cccc(C)c1N1CCCC(C)(C(=O)Nc2ccc(OC(C)C)cc2)S1(=O)=O
InChIInChI=1S/C23H30N2O4S/c1-16(2)29-20-12-10-19(11-13-20)24-22(26)23(5)14-7-15-25(30(23,27)28)21-17(3)8-6-9-18(21)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,24,26)
InChIKeyIMBXWGBOVQKCLV-UHFFFAOYSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide 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

(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 125063180
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
2,6-dimethyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230278
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783185
(5S)-5-methyl-1,1-dioxo-2-phenyl-N-(4-propan-2-yloxyphenyl)-1,2-thiazolidine-5-carboxamide
CID 100783474
(5R)-2-(2,6-dimethylphenyl)-N-(4-methoxy-2-methylphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783240
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
(5S)-N-(4-methoxyphenyl)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carboxamide
CID 100783459
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 108980460
ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate
CID 100783994

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide (CID 133230240) is 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide is Cc1cccc(C)c1N1CCCC(C)(C(=O)Nc2ccc(OC(C)C)cc2)S1(=O)=O.
What is the InChIKey of 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?
The InChIKey is IMBXWGBOVQKCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16(2)29-20-12-10-19(11-13-20)24-22(26)23(5)14-7-15-25(30(23,27)28)21-17(3)8-6-9-18(21)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,24,26).
What are the key properties of 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?
2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide is sourced from PubChem (CID 133230240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).