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

C24H30ClN3O4S2 — CID 174425276

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(CCC(C)C)c1
InChIInChI=1S/C24H30ClN3O4S2/c1-12(2)8-9-18-11-13(3)10-14(4)20(18)26-23(29)21-22(15(5)17(7)33-21)34(30,31)28-24-19(25)16(6)27-32-24/h10-12,28H,8-9H2,1-7H3,(H,26,29)
InChIKeyUHKKXEGNDCLJQL-UHFFFAOYSA-N
MW524.11 g/mol
LogP6.57
Rot. Bonds8

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 174425276) has the molecular formula C24H30ClN3O4S2 and a molecular weight of 524.11 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID174425276
Molecular FormulaC24H30ClN3O4S2
Molecular Weight524.11 g/mol
Exact Mass523.14
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(CCC(C)C)c1
InChIInChI=1S/C24H30ClN3O4S2/c1-12(2)8-9-18-11-13(3)10-14(4)20(18)26-23(29)21-22(15(5)17(7)33-21)34(30,31)28-24-19(25)16(6)27-32-24/h10-12,28H,8-9H2,1-7H3,(H,26,29)
InChIKeyUHKKXEGNDCLJQL-UHFFFAOYSA-N
XLogP6.57
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.11
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 139950174
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-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
N-(2-acetyl-4,6-dimethylphenyl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 10299555
N-(2-acetyl-4,6-dimethylphenyl)-5-chloro-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
CID 10141833
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-(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
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
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

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-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of 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) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(CCC(C)C)c1.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is UHKKXEGNDCLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S2/c1-12(2)8-9-18-11-13(3)10-14(4)20(18)26-23(29)21-22(15(5)17(7)33-21)34(30,31)28-24-19(25)16(6)27-32-24/h10-12,28H,8-9H2,1-7H3,(H,26,29).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2,4-dimethyl-6-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 524.11 g/mol, XLogP of 6.57, 8 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-(3-methylbutyl)phenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 174425276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).