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

C18H15ClN4O6S2 — CID 10227825

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(C#N)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1OC
InChIInChI=1S/C18H15ClN4O6S2/c1-9-13(19)18(29-22-9)23-31(25,26)12-6-7-30-16(12)17(24)21-14-10(8-20)4-5-11(27-2)15(14)28-3/h4-7,23H,1-3H3,(H,21,24)
InChIKeySJVHVHSXVZUHCM-UHFFFAOYSA-N
MW482.93 g/mol
LogP3.64
Rot. Bonds7

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 10227825) has the molecular formula C18H15ClN4O6S2 and a molecular weight of 482.93 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide
PubChem CID10227825
Molecular FormulaC18H15ClN4O6S2
Molecular Weight482.93 g/mol
Exact Mass482.01
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(C#N)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1OC
InChIInChI=1S/C18H15ClN4O6S2/c1-9-13(19)18(29-22-9)23-31(25,26)12-6-7-30-16(12)17(24)21-14-10(8-20)4-5-11(27-2)15(14)28-3/h4-7,23H,1-3H3,(H,21,24)
InChIKeySJVHVHSXVZUHCM-UHFFFAOYSA-N
XLogP3.64
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
CID 10186213
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-(2,4,6-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
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
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-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
CID 10119327
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(7-cyano-6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 174373360
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[6-(cyanomethyl)-4-methyl-1,3-benzodioxol-5-yl]thiophene-2-carboxamide
CID 23445337
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2-hydroxyethyl)-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10140054
[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] (4-nitrophenyl) carbonate
CID 10699109

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide (CID 10227825) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide is COc1ccc(C#N)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c1OC.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is SJVHVHSXVZUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O6S2/c1-9-13(19)18(29-22-9)23-31(25,26)12-6-7-30-16(12)17(24)21-14-10(8-20)4-5-11(27-2)15(14)28-3/h4-7,23H,1-3H3,(H,21,24).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 482.93 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10227825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).