2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide

C24H25N3O5S2 — CID 53077432

IUPAC2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide
SMILESCOc1cc(OC)cc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C24H25N3O5S2/c1-15(2)16-6-8-18(9-7-16)27(3)34(28,29)21-10-11-33-22(21)24-25-23(26-32-24)17-12-19(30-4)14-20(13-17)31-5/h6-15H,1-5H3
InChIKeyCTPPJTDZLHIEGV-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.43
Rot. Bonds8

About 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide

2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide (PubChem CID 53077432) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide
PubChem CID53077432
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide
SMILESCOc1cc(OC)cc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C(C)C)cc3)n2)c1
InChIInChI=1S/C24H25N3O5S2/c1-15(2)16-6-8-18(9-7-16)27(3)34(28,29)21-10-11-33-22(21)24-25-23(26-32-24)17-12-19(30-4)14-20(13-17)31-5/h6-15H,1-5H3
InChIKeyCTPPJTDZLHIEGV-UHFFFAOYSA-N
XLogP5.43
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-(4-propan-2-ylphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 20934026
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethoxyphenyl)-N-methylthiophene-3-sulfonamide
CID 53077459
N-(3,4-dimethoxyphenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 53077450
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 45498593
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375524
N-(4-chlorophenyl)-2-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 53077475
2-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
CID 27375392
N-(3-methoxyphenyl)-N-methyl-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 45499939
N-(4-fluorophenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375148
N-(4-fluorophenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375494
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethoxyphenyl)-N-methylthiophene-3-sulfonamide
CID 53077452
2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide (CID 53077432) is 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide is COc1cc(OC)cc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C(C)C)cc3)n2)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide?
The InChIKey is CTPPJTDZLHIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-15(2)16-6-8-18(9-7-16)27(3)34(28,29)21-10-11-33-22(21)24-25-23(26-32-24)17-12-19(30-4)14-20(13-17)31-5/h6-15H,1-5H3.
What are the key properties of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide?
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide has a molecular weight of 499.61 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(4-propan-2-ylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 53077432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).