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

C21H24ClN3O6S2 — CID 10186033

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(C(O)CO)c1
InChIInChI=1S/C21H24ClN3O6S2/c1-9-6-10(2)17(14(7-9)15(27)8-26)23-20(28)18-19(11(3)13(5)32-18)33(29,30)25-21-16(22)12(4)24-31-21/h6-7,15,25-27H,8H2,1-5H3,(H,23,28)
InChIKeyNEAIVSPHZXYYKH-UHFFFAOYSA-N
MW514.03 g/mol
LogP4.01
Rot. Bonds7

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

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 10186033) has the molecular formula C21H24ClN3O6S2 and a molecular weight of 514.03 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID10186033
Molecular FormulaC21H24ClN3O6S2
Molecular Weight514.03 g/mol
Exact Mass513.08
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(C(O)CO)c1
InChIInChI=1S/C21H24ClN3O6S2/c1-9-6-10(2)17(14(7-9)15(27)8-26)23-20(28)18-19(11(3)13(5)32-18)33(29,30)25-21-16(22)12(4)24-31-21/h6-7,15,25-27H,8H2,1-5H3,(H,23,28)
InChIKeyNEAIVSPHZXYYKH-UHFFFAOYSA-N
XLogP4.01
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-[2,4-dimethyl-6-(2-methylpropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 139950174
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
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)-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-(2-hydroxyethyl)-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10140054
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
CID 10119327
[3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-5-methylthiophene-2-carbonyl]amino]-2,4,6-trimethylphenyl] carbamate
CID 10142409
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-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]acetyl]thiophene-3-sulfonamide
CID 23445289

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of 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) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C)c(NC(=O)c2sc(C)c(C)c2S(=O)(=O)Nc2onc(C)c2Cl)c(C(O)CO)c1.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is NEAIVSPHZXYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O6S2/c1-9-6-10(2)17(14(7-9)15(27)8-26)23-20(28)18-19(11(3)13(5)32-18)33(29,30)25-21-16(22)12(4)24-31-21/h6-7,15,25-27H,8H2,1-5H3,(H,23,28).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 514.03 g/mol, XLogP of 4.01, 7 rotatable bonds, 4 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-(1,2-dihydroxyethyl)-4,6-dimethylphenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 10186033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).