N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide

C24H28FN3O3S2 — CID 16564298

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H28FN3O3S2/c1-6-28(7-2)33(30,31)20-12-15(3)16(4)21(13-20)27-23(29)14-22-24(26-17(5)32-22)18-8-10-19(25)11-9-18/h8-13H,6-7,14H2,1-5H3,(H,27,29)
InChIKeyQEPDGNUSAMDTAD-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.09
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 16564298) has the molecular formula C24H28FN3O3S2 and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID16564298
Molecular FormulaC24H28FN3O3S2
Molecular Weight489.64 g/mol
Exact Mass489.16
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H28FN3O3S2/c1-6-28(7-2)33(30,31)20-12-15(3)16(4)21(13-20)27-23(29)14-22-24(26-17(5)32-22)18-8-10-19(25)11-9-18/h8-13H,6-7,14H2,1-5H3,(H,27,29)
InChIKeyQEPDGNUSAMDTAD-UHFFFAOYSA-N
XLogP5.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8714276
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-(2-ethyl-6-methylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8761777
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 11682564
2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 86933475
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832563
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 43010055
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 18268792
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide (CID 16564298) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is QEPDGNUSAMDTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S2/c1-6-28(7-2)33(30,31)20-12-15(3)16(4)21(13-20)27-23(29)14-22-24(26-17(5)32-22)18-8-10-19(25)11-9-18/h8-13H,6-7,14H2,1-5H3,(H,27,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 489.64 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 16564298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).