3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide

C18H18N4O4S — CID 100758466

IUPAC3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cccc(-c2noc(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H18N4O4S/c1-12-3-2-4-13(11-12)18-21-17(26-22-18)10-9-16(23)20-14-5-7-15(8-6-14)27(19,24)25/h2-8,11H,9-10H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyBXNUKMBHDYBYCT-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.26
Rot. Bonds6

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

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 100758466) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID100758466
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cccc(-c2noc(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H18N4O4S/c1-12-3-2-4-13(11-12)18-21-17(26-22-18)10-9-16(23)20-14-5-7-15(8-6-14)27(19,24)25/h2-8,11H,9-10H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyBXNUKMBHDYBYCT-UHFFFAOYSA-N
XLogP2.26
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246
ethyl 4-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 666398
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
CID 17101301
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354560
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354653
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 3485886

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide (CID 100758466) is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide is Cc1cccc(-c2noc(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is BXNUKMBHDYBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-12-3-2-4-13(11-12)18-21-17(26-22-18)10-9-16(23)20-14-5-7-15(8-6-14)27(19,24)25/h2-8,11H,9-10H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide?
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 386.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 100758466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).