3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C20H24N4O4S — CID 133145447

IUPAC3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NC3CC(c4ccccc4C)NN3)c(C)cc21
InChIInChI=1S/C20H24N4O4S/c1-4-24-16-9-13(3)18(11-17(16)28-20(24)25)29(26,27)23-19-10-15(21-22-19)14-8-6-5-7-12(14)2/h5-9,11,15,19,21-23H,4,10H2,1-3H3
InChIKeyJQVFFOILYXTILF-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.07
Rot. Bonds5

About 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 133145447) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID133145447
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCCn1c(=O)oc2cc(S(=O)(=O)NC3CC(c4ccccc4C)NN3)c(C)cc21
InChIInChI=1S/C20H24N4O4S/c1-4-24-16-9-13(3)18(11-17(16)28-20(24)25)29(26,27)23-19-10-15(21-22-19)14-8-6-5-7-12(14)2/h5-9,11,15,19,21-23H,4,10H2,1-3H3
InChIKeyJQVFFOILYXTILF-UHFFFAOYSA-N
XLogP2.07
TPSA105.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-5-chloro-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 51500239
N-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-5-chloro-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 98137633
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
CID 70111986
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-[(2S)-butan-2-yl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648198
2-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-methylbenzamide
CID 110615646
N-benzhydryl-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648304
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide
CID 167812573
3-ethyl-6-[hydroxy-(2-methylphenyl)methyl]-1,3-benzoxazol-2-one
CID 62301115

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 133145447) is 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide is CCn1c(=O)oc2cc(S(=O)(=O)NC3CC(c4ccccc4C)NN3)c(C)cc21.
What is the InChIKey of 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is JQVFFOILYXTILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-4-24-16-9-13(3)18(11-17(16)28-20(24)25)29(26,27)23-19-10-15(21-22-19)14-8-6-5-7-12(14)2/h5-9,11,15,19,21-23H,4,10H2,1-3H3.
What are the key properties of 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 416.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[5-(2-methylphenyl)pyrazolidin-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 133145447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).