1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide

C18H19N3O3S — CID 110319492

IUPAC1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-6-8-15(9-7-13)12-25(22,23)19-11-17-20-21-18(24-17)16-5-3-4-14(2)10-16/h3-10,19H,11-12H2,1-2H3
InChIKeyYZKKXANYXVZQMU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.97
Rot. Bonds6

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

1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (PubChem CID 110319492) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
PubChem CID110319492
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H19N3O3S/c1-13-6-8-15(9-7-13)12-25(22,23)19-11-17-20-21-18(24-17)16-5-3-4-14(2)10-16/h3-10,19H,11-12H2,1-2H3
InChIKeyYZKKXANYXVZQMU-UHFFFAOYSA-N
XLogP2.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321378
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
CID 110319446
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409
4-tert-butyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651876
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide (CID 110319492) is 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
The InChIKey is YZKKXANYXVZQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-6-8-15(9-7-13)12-25(22,23)19-11-17-20-21-18(24-17)16-5-3-4-14(2)10-16/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide?
1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110319492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).