1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea

C17H16N4O4S — CID 110643598

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1
InChIInChI=1S/C17H16N4O4S/c1-11-3-9-15(10-4-11)26(23,24)21-17(22)19-14-7-5-13(6-8-14)16-18-12(2)20-25-16/h3-10H,1-2H3,(H2,19,21,22)
InChIKeyBYTNFUHOJLBINH-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.86
Rot. Bonds4

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110643598) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110643598
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1
InChIInChI=1S/C17H16N4O4S/c1-11-3-9-15(10-4-11)26(23,24)21-17(22)19-14-7-5-13(6-8-14)16-18-12(2)20-25-16/h3-10H,1-2H3,(H2,19,21,22)
InChIKeyBYTNFUHOJLBINH-UHFFFAOYSA-N
XLogP2.86
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
CID 69350721
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 11210014
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 1371086
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea (CID 110643598) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is BYTNFUHOJLBINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-11-3-9-15(10-4-11)26(23,24)21-17(22)19-14-7-5-13(6-8-14)16-18-12(2)20-25-16/h3-10H,1-2H3,(H2,19,21,22).
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 372.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110643598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).