N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide

C20H22N2O4S — CID 110618406

IUPACN-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1
InChIInChI=1S/C20H22N2O4S/c1-14-5-6-17(15(2)23)13-19(14)21-20(24)16-7-9-18(10-8-16)22-11-3-4-12-27(22,25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyJMFOFDPNTOARCK-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.38
Rot. Bonds4

About N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide

N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (PubChem CID 110618406) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
PubChem CID110618406
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
SMILESCC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1
InChIInChI=1S/C20H22N2O4S/c1-14-5-6-17(15(2)23)13-19(14)21-20(24)16-7-9-18(10-8-16)22-11-3-4-12-27(22,25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyJMFOFDPNTOARCK-UHFFFAOYSA-N
XLogP3.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 7483183
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7685602
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
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-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(2-chloro-4-nitrophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7498981

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide (CID 110618406) is N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is CC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
The InChIKey is JMFOFDPNTOARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-5-6-17(15(2)23)13-19(14)21-20(24)16-7-9-18(10-8-16)22-11-3-4-12-27(22,25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide?
N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide is sourced from PubChem (CID 110618406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).