2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide

C19H20N2O3S — CID 20934938

IUPAC2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-13-4-7-16(8-5-13)12-20-25(22,23)19-11-17(9-6-14(19)2)18-10-15(3)21-24-18/h4-11,20H,12H2,1-3H3
InChIKeyKNHQRLUFRUOCRU-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.75
Rot. Bonds5

About 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 20934938) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID20934938
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1
InChIInChI=1S/C19H20N2O3S/c1-13-4-7-16(8-5-13)12-20-25(22,23)19-11-17(9-6-14(19)2)18-10-15(3)21-24-18/h4-11,20H,12H2,1-3H3
InChIKeyKNHQRLUFRUOCRU-UHFFFAOYSA-N
XLogP3.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094849
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 20934908
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935787
N-[(3S)-3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 92505391
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 20935524
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylbutyl)benzenesulfonamide
CID 20935805
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 20935012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 20934938) is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1.
What is the InChIKey of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is KNHQRLUFRUOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-4-7-16(8-5-13)12-20-25(22,23)19-11-17(9-6-14(19)2)18-10-15(3)21-24-18/h4-11,20H,12H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 20934938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).