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

C19H22N2O3S — CID 7685970

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-7-9-16(10-8-15)14-20-19(22)17-5-4-6-18(13-17)21-11-2-3-12-25(21,23)24/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyPLJGXLHXLBQFGM-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.86
Rot. Bonds4

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

3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7685970) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7685970
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-7-9-16(10-8-15)14-20-19(22)17-5-4-6-18(13-17)21-11-2-3-12-25(21,23)24/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22)
InChIKeyPLJGXLHXLBQFGM-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7686230
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-phenylbenzamide
CID 46475375
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744256
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide (CID 7685970) is 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is PLJGXLHXLBQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-7-9-16(10-8-15)14-20-19(22)17-5-4-6-18(13-17)21-11-2-3-12-25(21,23)24/h4-10,13H,2-3,11-12,14H2,1H3,(H,20,22).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.86, 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)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7685970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).