N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C20H23N3O4S — CID 50747543

IUPACN-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1-c1nc(C(C)C)no1
InChIInChI=1S/C20H23N3O4S/c1-12(2)19-21-20(27-22-19)17-11-16(8-9-18(17)26-5)28(24,25)23-15-7-6-13(3)14(4)10-15/h6-12,23H,1-5H3
InChIKeyJIQQBXZPYRYYTA-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.29
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747543) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747543
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1-c1nc(C(C)C)no1
InChIInChI=1S/C20H23N3O4S/c1-12(2)19-21-20(27-22-19)17-11-16(8-9-18(17)26-5)28(24,25)23-15-7-6-13(3)14(4)10-15/h6-12,23H,1-5H3
InChIKeyJIQQBXZPYRYYTA-UHFFFAOYSA-N
XLogP4.29
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747618
N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747563
4-methyl-3-nitro-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 51133747
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
4-methoxy-3-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643631
N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747629
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747600
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 35521934
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747543) is N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1-c1nc(C(C)C)no1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is JIQQBXZPYRYYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-12(2)19-21-20(27-22-19)17-11-16(8-9-18(17)26-5)28(24,25)23-15-7-6-13(3)14(4)10-15/h6-12,23H,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).