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

C22H26ClN3O4S2 — CID 139950174

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(C)cc2S(=O)(=O)Nc2onc(C)c2Cl)c(CC(C)C)c1
InChIInChI=1S/C22H26ClN3O4S2/c1-11(2)7-16-9-12(3)8-13(4)19(16)24-21(27)20-17(10-14(5)31-20)32(28,29)26-22-18(23)15(6)25-30-22/h8-11,26H,7H2,1-6H3,(H,24,27)
InChIKeyGBSSPBJHVFSALY-UHFFFAOYSA-N
MW496.05 g/mol
LogP5.87
Rot. Bonds7

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 139950174) has the molecular formula C22H26ClN3O4S2 and a molecular weight of 496.05 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID139950174
Molecular FormulaC22H26ClN3O4S2
Molecular Weight496.05 g/mol
Exact Mass495.11
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(C)cc2S(=O)(=O)Nc2onc(C)c2Cl)c(CC(C)C)c1
InChIInChI=1S/C22H26ClN3O4S2/c1-11(2)7-16-9-12(3)8-13(4)19(16)24-21(27)20-17(10-14(5)31-20)32(28,29)26-22-18(23)15(6)25-30-22/h8-11,26H,7H2,1-6H3,(H,24,27)
InChIKeyGBSSPBJHVFSALY-UHFFFAOYSA-N
XLogP5.87
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.05
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 10299555
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 174425276
N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
CID 10141833
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]-5-methylthiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] carbamate
CID 10142409
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 10186033
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
CID 10119327
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
N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 10166331
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215

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-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide (CID 139950174) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sc(C)cc2S(=O)(=O)Nc2onc(C)c2Cl)c(CC(C)C)c1.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GBSSPBJHVFSALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S2/c1-11(2)7-16-9-12(3)8-13(4)19(16)24-21(27)20-17(10-14(5)31-20)32(28,29)26-22-18(23)15(6)25-30-22/h8-11,26H,7H2,1-6H3,(H,24,27).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 496.05 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 139950174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).