2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide

C19H24N2O4S2 — CID 17392981

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1SCc1c(C)noc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O4S2/c1-4-21(15-9-10-27(23,24)12-15)19(22)16-7-5-6-8-18(16)26-11-17-13(2)20-25-14(17)3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyXENZSVJMRLMZKZ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.23
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide (PubChem CID 17392981) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
PubChem CID17392981
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1SCc1c(C)noc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H24N2O4S2/c1-4-21(15-9-10-27(23,24)12-15)19(22)16-7-5-6-8-18(16)26-11-17-13(2)20-25-14(17)3/h5-8,15H,4,9-12H2,1-3H3
InChIKeyXENZSVJMRLMZKZ-UHFFFAOYSA-N
XLogP3.23
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 51925382
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55421030
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 51148585
(4-aminopiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 119375601
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 134022129
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 55806159
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699576
2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 110299246
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562671
[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 43046897

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide (CID 17392981) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide is CCN(C(=O)c1ccccc1SCc1c(C)noc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide?
The InChIKey is XENZSVJMRLMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-4-21(15-9-10-27(23,24)12-15)19(22)16-7-5-6-8-18(16)26-11-17-13(2)20-25-14(17)3/h5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide is sourced from PubChem (CID 17392981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).