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

C19H20ClN3O8S2 — CID 10186213

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(OC)c(OC)c(OC)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H20ClN3O8S2/c1-9-13(20)19(31-22-9)23-33(25,26)12-6-7-32-17(12)18(24)21-14-10(27-2)8-11(28-3)15(29-4)16(14)30-5/h6-8,23H,1-5H3,(H,21,24)
InChIKeyLVFIKZDUFGFBEM-UHFFFAOYSA-N
MW517.97 g/mol
LogP3.79
Rot. Bonds9

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide (PubChem CID 10186213) has the molecular formula C19H20ClN3O8S2 and a molecular weight of 517.97 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
PubChem CID10186213
Molecular FormulaC19H20ClN3O8S2
Molecular Weight517.97 g/mol
Exact Mass517.04
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(OC)c(OC)c(OC)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C19H20ClN3O8S2/c1-9-13(20)19(31-22-9)23-33(25,26)12-6-7-32-17(12)18(24)21-14-10(27-2)8-11(28-3)15(29-4)16(14)30-5/h6-8,23H,1-5H3,(H,21,24)
InChIKeyLVFIKZDUFGFBEM-UHFFFAOYSA-N
XLogP3.79
TPSA138.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.97
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide
CID 10227825
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 174394504
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(2,3,4-trimethoxy-6-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 18009303
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 70248457
sodium 3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenolate
CID 23688225
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(3-cyano-2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 10837875
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2-hydroxyethyl)-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10140054
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide
CID 10119656
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
CID 10119327
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
7-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-6-methyl-1,3-benzodioxole-5-carboxylic acid
CID 174365755

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide (CID 10186213) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide is COc1cc(OC)c(OC)c(OC)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-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is LVFIKZDUFGFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O8S2/c1-9-13(20)19(31-22-9)23-33(25,26)12-6-7-32-17(12)18(24)21-14-10(27-2)8-11(28-3)15(29-4)16(14)30-5/h6-8,23H,1-5H3,(H,21,24).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 517.97 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10186213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).