N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide

C20H22N2O3S — CID 3239540

IUPACN-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
InChIKeyAGBLCCFQXJWYBS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide

N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide (PubChem CID 3239540) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
PubChem CID3239540
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3
InChIKeyAGBLCCFQXJWYBS-UHFFFAOYSA-N
XLogP3.73
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methanone, [1-(3,5-dimethyl-4-isoxazolylsulfonyl)-4-piperidinyl]phenyl-
CID 604700
3,5-Dimethyl-N-{2-[4-(4-Methylbenzyl)piperidin-1-Yl]-3,4-Dioxocyclobut-1-En-1-Yl}-1,2-Oxazole-4-Sulfonamide
CID 90684390
N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)benzyl]amino}piperidin-1-Yl)cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide
CID 90684391
4-methyl-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738171
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
N-ethyl-3,5-dimethyl-N-phenyl-1,2-oxazole-4-sulfonamide
CID 3609627
3,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-4-sulfonamide
CID 8061730
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
{1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}(4-methylphenyl)methanone
CID 2741118
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(2-phenylethyl)benzamide
CID 3241358
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide (CID 3239540) is N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is AGBLCCFQXJWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-16-20(17(2)25-21-16)26(23,24)22(15-19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3.
What are the key properties of N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide?
N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3239540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).