3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide

C20H24N2O3S — CID 7686230

IUPAC3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-5-8-17(9-6-15)14-21-20(23)18-10-7-16(2)19(13-18)22-11-3-4-12-26(22,24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyYNOPJCZQSJXUFA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.16
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide

3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7686230) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7686230
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-5-8-17(9-6-15)14-21-20(23)18-10-7-16(2)19(13-18)22-11-3-4-12-26(22,24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyYNOPJCZQSJXUFA-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
4-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzoyl]amino]methyl]benzoic acid
CID 119353404
3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 7686318
[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 7686257
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-propylbenzamide
CID 7686148
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 7659014
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-pentylbenzamide
CID 110295560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7640667
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 7686230) is 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is YNOPJCZQSJXUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-5-8-17(9-6-15)14-21-20(23)18-10-7-16(2)19(13-18)22-11-3-4-12-26(22,24)25/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide?
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7686230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).