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

C20H22ClN3O6S3 — CID 10119327

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
SMILESCCCS(=O)(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C20H22ClN3O6S3/c1-5-8-32(26,27)15-10-11(2)9-12(3)17(15)22-19(25)18-14(6-7-31-18)33(28,29)24-20-16(21)13(4)23-30-20/h6-7,9-10,24H,5,8H2,1-4H3,(H,22,25)
InChIKeyKPNPQTMBAQGOSY-UHFFFAOYSA-N
MW532.07 g/mol
LogP4.55
Rot. Bonds8

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 10119327) has the molecular formula C20H22ClN3O6S3 and a molecular weight of 532.07 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID10119327
Molecular FormulaC20H22ClN3O6S3
Molecular Weight532.07 g/mol
Exact Mass531.04
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
SMILESCCCS(=O)(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C20H22ClN3O6S3/c1-5-8-32(26,27)15-10-11(2)9-12(3)17(15)22-19(25)18-14(6-7-31-18)33(28,29)24-20-16(21)13(4)23-30-20/h6-7,9-10,24H,5,8H2,1-4H3,(H,22,25)
InChIKeyKPNPQTMBAQGOSY-UHFFFAOYSA-N
XLogP4.55
TPSA135.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.07
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide
CID 9911482
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (3-hydroxy-2,4,6-trimethyl-phenyl)-amide
CID 9868637
N-(2-acetyl-4,6-dimethylphenyl)-3-(((4-chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-2-thiophenecarboxamide
CID 9934302
3-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyano-3,4,6-trimethyl-phenyl)-amide
CID 10114414
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-chloro-4,6-dimethyl-phenyl)-amide
CID 10115469
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propan-2-ylsulfonylphenyl)thiophene-2-carboxamide
CID 10143256
3-(((4-Chloro-3-methyl-5-isoxazolyl)amino)sulfonyl)-N-(2-isobutyryl-4,6-dimethylphenyl)-2-thiophenecarboxamide
CID 10163744
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid [2-(2-methanesulfonyl-acetyl)-4,6-dimethyl-phenyl]-amide
CID 10165963
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10166223
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-ethyl-4,6-dimethyl-phenyl)-amide
CID 10182624
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-cyano-3,4,6-trimethyl-phenyl)-amide
CID 10183338
3-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (2-methanesulfonyl-4,6-dimethyl-phenyl)-amide
CID 10185556

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-propylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide (CID 10119327) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)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-propylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide is CCCS(=O)(=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-propylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is KPNPQTMBAQGOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6S3/c1-5-8-32(26,27)15-10-11(2)9-12(3)17(15)22-19(25)18-14(6-7-31-18)33(28,29)24-20-16(21)13(4)23-30-20/h6-7,9-10,24H,5,8H2,1-4H3,(H,22,25).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 532.07 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-propylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10119327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).