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

C18H18N2O4S2 — CID 10715441

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C18H18N2O4S2/c1-11-4-6-14(7-5-11)10-15(21)17-16(8-9-25-17)26(22,23)20-18-12(2)13(3)19-24-18/h4-9,20H,10H2,1-3H3
InChIKeyBGVMHOXNOKQCIL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.89
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide (PubChem CID 10715441) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide
PubChem CID10715441
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide
SMILESCc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C18H18N2O4S2/c1-11-4-6-14(7-5-11)10-15(21)17-16(8-9-25-17)26(22,23)20-18-12(2)13(3)19-24-18/h4-9,20H,10H2,1-3H3
InChIKeyBGVMHOXNOKQCIL-UHFFFAOYSA-N
XLogP3.89
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.89
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-(4-methylphenyl)acetyl]thiophene-3-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide (CID 10715441) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide is Cc1ccc(CC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide?
The InChIKey is BGVMHOXNOKQCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-11-4-6-14(7-5-11)10-15(21)17-16(8-9-25-17)26(22,23)20-18-12(2)13(3)19-24-18/h4-9,20H,10H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(4-methylphenyl)acetyl]thiophene-3-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of 3.89, 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-(4-methylphenyl)acetyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10715441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).