4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide

C18H20N2O4S2 — CID 53057290

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1
InChIInChI=1S/C18H20N2O4S2/c1-10-11(2)19-24-17(10)16-12(3)25-13(4)18(16)26(21,22)20-14-6-8-15(23-5)9-7-14/h6-9,20H,1-5H3
InChIKeyAKSILGCDOHGOPZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.45
Rot. Bonds5

About 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 53057290) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID53057290
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1
InChIInChI=1S/C18H20N2O4S2/c1-10-11(2)19-24-17(10)16-12(3)25-13(4)18(16)26(21,22)20-14-6-8-15(23-5)9-7-14/h6-9,20H,1-5H3
InChIKeyAKSILGCDOHGOPZ-UHFFFAOYSA-N
XLogP4.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 53057290) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is AKSILGCDOHGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-10-11(2)19-24-17(10)16-12(3)25-13(4)18(16)26(21,22)20-14-6-8-15(23-5)9-7-14/h6-9,20H,1-5H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 53057290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).