N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C24H29N3O4S2 — CID 27872759

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)ccc1C
InChIInChI=1S/C24H29N3O4S2/c1-5-27(6-2)33(29,30)22-13-19(10-9-18(22)4)25-23(28)14-20-16-32-24(26-20)15-31-21-11-7-17(3)8-12-21/h7-13,16H,5-6,14-15H2,1-4H3,(H,25,28)
InChIKeySIRGXCPGWDDHEL-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.55
Rot. Bonds10

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 27872759) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID27872759
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)ccc1C
InChIInChI=1S/C24H29N3O4S2/c1-5-27(6-2)33(29,30)22-13-19(10-9-18(22)4)25-23(28)14-20-16-32-24(26-20)15-31-21-11-7-17(3)8-12-21/h7-13,16H,5-6,14-15H2,1-4H3,(H,25,28)
InChIKeySIRGXCPGWDDHEL-UHFFFAOYSA-N
XLogP4.55
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989096
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-(3,5-dimethylphenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341903
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-(5-bromo-2-pyridinyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55457546
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55472121

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 27872759) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is SIRGXCPGWDDHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-5-27(6-2)33(29,30)22-13-19(10-9-18(22)4)25-23(28)14-20-16-32-24(26-20)15-31-21-11-7-17(3)8-12-21/h7-13,16H,5-6,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 487.65 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27872759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).