4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C15H17N3O4S — CID 7685602

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)no1
InChIInChI=1S/C15H17N3O4S/c1-11-10-14(17-22-11)16-15(19)12-4-6-13(7-5-12)18-8-2-3-9-23(18,20)21/h4-7,10H,2-3,8-9H2,1H3,(H,16,17,19)
InChIKeyWJEMWRSJIPDEQV-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.17
Rot. Bonds3

About 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 7685602) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID7685602
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)no1
InChIInChI=1S/C15H17N3O4S/c1-11-10-14(17-22-11)16-15(19)12-4-6-13(7-5-12)18-8-2-3-9-23(18,20)21/h4-7,10H,2-3,8-9H2,1H3,(H,16,17,19)
InChIKeyWJEMWRSJIPDEQV-UHFFFAOYSA-N
XLogP2.17
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 42922351
N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110618406
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51250658
N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130033
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490505
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 7685602) is 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)no1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is WJEMWRSJIPDEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-10-14(17-22-11)16-15(19)12-4-6-13(7-5-12)18-8-2-3-9-23(18,20)21/h4-7,10H,2-3,8-9H2,1H3,(H,16,17,19).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 335.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 7685602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).