4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide

C22H21N3O6S — CID 5165192

IUPAC4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C22H21N3O6S/c1-14-10-20(24-31-14)23-22(27)16-8-9-18(30-2)19(11-16)32(28,29)25-13-17(12-21(25)26)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,23,24,27)
InChIKeyVKYSJZIUOWGXOI-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.95
Rot. Bonds6

About 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide

4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide (PubChem CID 5165192) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide
PubChem CID5165192
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C22H21N3O6S/c1-14-10-20(24-31-14)23-22(27)16-8-9-18(30-2)19(11-16)32(28,29)25-13-17(12-21(25)26)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,23,24,27)
InChIKeyVKYSJZIUOWGXOI-UHFFFAOYSA-N
XLogP2.95
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 4431371
4-methoxy-3-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}-N-phenylbenzamide
CID 1294300
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2344220
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-pentoxybenzamide
CID 1581690
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-(piperidin-1-ylsulfonyl)benzamide
CID 7223587
4-ethoxy-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzamide
CID 1187347
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2115688
3-[(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542050
4-(2,5-dimethoxybenzenesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 60159691
4-methoxy-N-(1,2-oxazol-3-yl)-3-(phenylsulfamoyl)benzamide
CID 1265487
4-isopropoxy-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzamide
CID 1181023
4-butoxy-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzamide
CID 1561741

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide (CID 5165192) is 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CC(c2ccccc2)CC1=O.
What is the InChIKey of 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide?
The InChIKey is VKYSJZIUOWGXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-14-10-20(24-31-14)23-22(27)16-8-9-18(30-2)19(11-16)32(28,29)25-13-17(12-21(25)26)15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,23,24,27).
What are the key properties of 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide?
4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide has a molecular weight of 455.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-4-phenylpyrrolidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 5165192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).