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

C19H20N2O4S2 — CID 10525281

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1
InChIInChI=1S/C19H20N2O4S2/c1-11-5-6-15(12(2)9-11)10-16(22)18-17(7-8-26-18)27(23,24)21-19-13(3)14(4)20-25-19/h5-9,21H,10H2,1-4H3
InChIKeySKSAMLPLLXHKDC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.20
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide (PubChem CID 10525281) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide
PubChem CID10525281
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1
InChIInChI=1S/C19H20N2O4S2/c1-11-5-6-15(12(2)9-11)10-16(22)18-17(7-8-26-18)27(23,24)21-19-13(3)14(4)20-25-19/h5-9,21H,10H2,1-4H3
InChIKeySKSAMLPLLXHKDC-UHFFFAOYSA-N
XLogP4.20
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide (CID 10525281) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide is Cc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide?
The InChIKey is SKSAMLPLLXHKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-11-5-6-15(12(2)9-11)10-16(22)18-17(7-8-26-18)27(23,24)21-19-13(3)14(4)20-25-19/h5-9,21H,10H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide has a molecular weight of 404.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(2,4-dimethylphenyl)acetyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).