N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C21H25N3O5S2 — CID 39090413

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C21H25N3O5S2/c1-5-24(6-2)31(26,27)16-8-10-18(28-4)17(12-16)23-20(25)11-15-13-30-21(22-15)19-9-7-14(3)29-19/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25)
InChIKeyHFKXCJLKCQAGRG-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.93
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 39090413) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID39090413
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C21H25N3O5S2/c1-5-24(6-2)31(26,27)16-8-10-18(28-4)17(12-16)23-20(25)11-15-13-30-21(22-15)19-9-7-14(3)29-19/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25)
InChIKeyHFKXCJLKCQAGRG-UHFFFAOYSA-N
XLogP3.93
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46407903
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46422815
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31820737
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46417790
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 34447886
N-(4-bromo-2-fluorophenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39089077
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46686268
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 55889197
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726799

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 39090413) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2csc(-c3ccc(C)o3)n2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HFKXCJLKCQAGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-5-24(6-2)31(26,27)16-8-10-18(28-4)17(12-16)23-20(25)11-15-13-30-21(22-15)19-9-7-14(3)29-19/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 39090413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).