5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide

C18H20N2O3S2 — CID 53079369

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1
InChIInChI=1S/C18H20N2O3S2/c1-11-5-7-15(8-6-11)10-19-25(21,22)17-9-16(24-14(17)4)18-12(2)13(3)20-23-18/h5-9,19H,10H2,1-4H3
InChIKeyAFDZMSJGDASPKL-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.12
Rot. Bonds5

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide

5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide (PubChem CID 53079369) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide
PubChem CID53079369
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1
InChIInChI=1S/C18H20N2O3S2/c1-11-5-7-15(8-6-11)10-19-25(21,22)17-9-16(24-14(17)4)18-12(2)13(3)20-23-18/h5-9,19H,10H2,1-4H3
InChIKeyAFDZMSJGDASPKL-UHFFFAOYSA-N
XLogP4.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide (CID 53079369) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is AFDZMSJGDASPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-11-5-7-15(8-6-11)10-19-25(21,22)17-9-16(24-14(17)4)18-12(2)13(3)20-23-18/h5-9,19H,10H2,1-4H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-[(4-methylphenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 53079369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).