3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide

C20H20ClN3O5S2 — CID 10206155

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide
SMILESCCC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C20H20ClN3O5S2/c1-5-14(25)13-9-10(2)8-11(3)17(13)22-19(26)18-15(6-7-30-18)31(27,28)24-20-16(21)12(4)23-29-20/h6-9,24H,5H2,1-4H3,(H,22,26)
InChIKeyXVUMUXQGASWUED-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.96
Rot. Bonds7

About 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide (PubChem CID 10206155) has the molecular formula C20H20ClN3O5S2 and a molecular weight of 481.98 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide
PubChem CID10206155
Molecular FormulaC20H20ClN3O5S2
Molecular Weight481.98 g/mol
Exact Mass481.05
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide
SMILESCCC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C20H20ClN3O5S2/c1-5-14(25)13-9-10(2)8-11(3)17(13)22-19(26)18-15(6-7-30-18)31(27,28)24-20-16(21)12(4)23-29-20/h6-9,24H,5H2,1-4H3,(H,22,26)
InChIKeyXVUMUXQGASWUED-UHFFFAOYSA-N
XLogP4.96
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide (CID 10206155) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide is CCC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide?
The InChIKey is XVUMUXQGASWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S2/c1-5-14(25)13-9-10(2)8-11(3)17(13)22-19(26)18-15(6-7-30-18)31(27,28)24-20-16(21)12(4)23-29-20/h6-9,24H,5H2,1-4H3,(H,22,26).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide has a molecular weight of 481.98 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propanoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10206155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).