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

C19H22N2O3S — CID 112505554

IUPACN-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(N3CCCCS3(=O)=O)c2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-6-5-7-16(12-14)19(22)20-17-9-8-15(2)18(13-17)21-10-3-4-11-25(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyIJYJQFGWCSTSPB-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.49
Rot. Bonds3

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

N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide (PubChem CID 112505554) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
PubChem CID112505554
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(N3CCCCS3(=O)=O)c2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-6-5-7-16(12-14)19(22)20-17-9-8-15(2)18(13-17)21-10-3-4-11-25(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyIJYJQFGWCSTSPB-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-nitrophenyl)benzamide
CID 7685954
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7640667

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide (CID 112505554) is N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C)c(N3CCCCS3(=O)=O)c2)c1.
What is the InChIKey of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide?
The InChIKey is IJYJQFGWCSTSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-6-5-7-16(12-14)19(22)20-17-9-8-15(2)18(13-17)21-10-3-4-11-25(21,23)24/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide?
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide is sourced from PubChem (CID 112505554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).