N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C23H28N4O4S2 — CID 31820737

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2csc(-c3ccco3)n2)c1
InChIInChI=1S/C23H28N4O4S2/c1-3-27(4-2)33(29,30)18-9-10-20(26-11-5-6-12-26)19(15-18)25-22(28)14-17-16-32-23(24-17)21-8-7-13-31-21/h7-10,13,15-16H,3-6,11-12,14H2,1-2H3,(H,25,28)
InChIKeyGBAPUUFEUXFOBE-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.22
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 31820737) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID31820737
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2csc(-c3ccco3)n2)c1
InChIInChI=1S/C23H28N4O4S2/c1-3-27(4-2)33(29,30)18-9-10-20(26-11-5-6-12-26)19(15-18)25-22(28)14-17-16-32-23(24-17)21-8-7-13-31-21/h7-10,13,15-16H,3-6,11-12,14H2,1-2H3,(H,25,28)
InChIKeyGBAPUUFEUXFOBE-UHFFFAOYSA-N
XLogP4.22
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24664084
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
CID 30748123
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24665733
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786671
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CID 43054838
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39090413
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60529635
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 31820737) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2csc(-c3ccco3)n2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is GBAPUUFEUXFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-3-27(4-2)33(29,30)18-9-10-20(26-11-5-6-12-26)19(15-18)25-22(28)14-17-16-32-23(24-17)21-8-7-13-31-21/h7-10,13,15-16H,3-6,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 488.64 g/mol, XLogP of 4.22, 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-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31820737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).