4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C19H21N3O4S — CID 50747612

IUPAC4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2OC)n1
InChIInChI=1S/C19H21N3O4S/c1-4-6-18-20-19(26-21-18)16-12-15(9-10-17(16)25-3)27(23,24)22-14-8-5-7-13(2)11-14/h5,7-12,22H,4,6H2,1-3H3
InChIKeyRBVSSAJDDONGHR-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.81
Rot. Bonds7

About 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747612) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747612
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2OC)n1
InChIInChI=1S/C19H21N3O4S/c1-4-6-18-20-19(26-21-18)16-12-15(9-10-17(16)25-3)27(23,24)22-14-8-5-7-13(2)11-14/h5,7-12,22H,4,6H2,1-3H3
InChIKeyRBVSSAJDDONGHR-UHFFFAOYSA-N
XLogP3.81
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747563
N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747600
4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747503
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747540
N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747543
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 177245163
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
CID 50747574
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 35521934
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747612) is 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is CCCc1noc(-c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2OC)n1.
What is the InChIKey of 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is RBVSSAJDDONGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-6-18-20-19(26-21-18)16-12-15(9-10-17(16)25-3)27(23,24)22-14-8-5-7-13(2)11-14/h5,7-12,22H,4,6H2,1-3H3.
What are the key properties of 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).