N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide

C20H23N3O4S — CID 7517052

IUPACN-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H23N3O4S/c1-14-5-6-16(13-19(14)23-11-3-4-12-28(23,26)27)20(25)22-18-9-7-17(8-10-18)21-15(2)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOVLRLOOXXGSYGI-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.14
Rot. Bonds4

About N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide

N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide (PubChem CID 7517052) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
PubChem CID7517052
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1
InChIInChI=1S/C20H23N3O4S/c1-14-5-6-16(13-19(14)23-11-3-4-12-28(23,26)27)20(25)22-18-9-7-17(8-10-18)21-15(2)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOVLRLOOXXGSYGI-UHFFFAOYSA-N
XLogP3.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7640667
[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 7686257
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7686230
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide (CID 7517052) is N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The InChIKey is OVLRLOOXXGSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-5-6-16(13-19(14)23-11-3-4-12-28(23,26)27)20(25)22-18-9-7-17(8-10-18)21-15(2)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide has a molecular weight of 401.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7517052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).