5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide

C21H22N2O3S — CID 20959170

IUPAC5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-4-10-18(11-5-14)23(3)27(24,25)20-12-17(7-6-15(20)2)19-13-22-21(26-19)16-8-9-16/h4-7,10-13,16H,8-9H2,1-3H3
InChIKeyGLXAMGZCILXDKM-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.66
Rot. Bonds5

About 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide

5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 20959170) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID20959170
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-4-10-18(11-5-14)23(3)27(24,25)20-12-17(7-6-15(20)2)19-13-22-21(26-19)16-8-9-16/h4-7,10-13,16H,8-9H2,1-3H3
InChIKeyGLXAMGZCILXDKM-UHFFFAOYSA-N
XLogP4.66
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 20959137
N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 164610048
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20959178
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
CID 142768688
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20935543
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 53054316
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,2-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 131902198
N-cyclohexyl-N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934956

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide (CID 20959170) is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)cc1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is GLXAMGZCILXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-4-10-18(11-5-14)23(3)27(24,25)20-12-17(7-6-15(20)2)19-13-22-21(26-19)16-8-9-16/h4-7,10-13,16H,8-9H2,1-3H3.
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide?
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 20959170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).