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

C24H29ClN4O5S2 — CID 10166223

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)N(C)CC(C)(C)C)c1
InChIInChI=1S/C24H29ClN4O5S2/c1-13-10-14(2)19(16(11-13)23(31)29(7)12-24(4,5)6)26-21(30)20-17(8-9-35-20)36(32,33)28-22-18(25)15(3)27-34-22/h8-11,28H,12H2,1-7H3,(H,26,30)
InChIKeyOOYXLYGKDANTPG-UHFFFAOYSA-N
MW553.11 g/mol
LogP5.49
Rot. Bonds7

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide (PubChem CID 10166223) has the molecular formula C24H29ClN4O5S2 and a molecular weight of 553.11 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
PubChem CID10166223
Molecular FormulaC24H29ClN4O5S2
Molecular Weight553.11 g/mol
Exact Mass552.13
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)N(C)CC(C)(C)C)c1
InChIInChI=1S/C24H29ClN4O5S2/c1-13-10-14(2)19(16(11-13)23(31)29(7)12-24(4,5)6)26-21(30)20-17(8-9-35-20)36(32,33)28-22-18(25)15(3)27-34-22/h8-11,28H,12H2,1-7H3,(H,26,30)
InChIKeyOOYXLYGKDANTPG-UHFFFAOYSA-N
XLogP5.49
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.11
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid [2,4-dimethyl-6-(propane-1-sulfonyl)-phenyl]-amide
CID 10119327
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-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-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The IUPAC name of 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) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C(=O)N(C)CC(C)(C)C)c1.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
The InChIKey is OOYXLYGKDANTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O5S2/c1-13-10-14(2)19(16(11-13)23(31)29(7)12-24(4,5)6)26-21(30)20-17(8-9-35-20)36(32,33)28-22-18(25)15(3)27-34-22/h8-11,28H,12H2,1-7H3,(H,26,30).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide has a molecular weight of 553.11 g/mol, XLogP of 5.49, 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-[2,2-dimethylpropyl(methyl)carbamoyl]-4,6-dimethylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 10166223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).