N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C16H19N3O4S — CID 2998906

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H19N3O4S/c1-11-5-7-13(8-6-11)24(21,22)19-9-3-4-14(19)16(20)17-15-10-12(2)23-18-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyMPZWPUPPGDLAQQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.08
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2998906) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2998906
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C16H19N3O4S/c1-11-5-7-13(8-6-11)24(21,22)19-9-3-4-14(19)16(20)17-15-10-12(2)23-18-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyMPZWPUPPGDLAQQ-UHFFFAOYSA-N
XLogP2.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2344800
N-(5-methyl-3-isoxazolyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310191
N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
5-(Tert-butyl)-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2813928
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-oxo-4-phenylpyrrolidin-1-yl)sulfonyl]benzamide
CID 4431371
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7189756
1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide
CID 2425592
2-methyl-N-(5-methyl-3-isoxazolyl)-1,1,4-trioxo-3H-1$l^{6},2-benzothiazine-3-carboxamide
CID 20507134
2-[(4-acetamidophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2468579
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2533222
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4963102

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2998906) is N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is MPZWPUPPGDLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11-5-7-13(8-6-11)24(21,22)19-9-3-4-14(19)16(20)17-15-10-12(2)23-18-15/h5-8,10,14H,3-4,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2998906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).