N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C22H28N4O4S2 — CID 24627403

IUPACN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2nc(-c3cccs3)oc2C)c1
InChIInChI=1S/C22H28N4O4S2/c1-6-26(7-2)32(28,29)16-10-11-19(25(4)5)18(13-16)23-21(27)14-17-15(3)30-22(24-17)20-9-8-12-31-20/h8-13H,6-7,14H2,1-5H3,(H,23,27)
InChIKeyXUZRKXROXPGWBV-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.99
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 24627403) has the molecular formula C22H28N4O4S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID24627403
Molecular FormulaC22H28N4O4S2
Molecular Weight476.62 g/mol
Exact Mass476.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2nc(-c3cccs3)oc2C)c1
InChIInChI=1S/C22H28N4O4S2/c1-6-26(7-2)32(28,29)16-10-11-19(25(4)5)18(13-16)23-21(27)14-17-15(3)30-22(24-17)20-9-8-12-31-20/h8-13H,6-7,14H2,1-5H3,(H,23,27)
InChIKeyXUZRKXROXPGWBV-UHFFFAOYSA-N
XLogP3.99
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627428
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
N-(2,5-dibromophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 39166292
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(4-chloro-2-fluorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31938329
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622288
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627396
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627594
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 24627403) is N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2nc(-c3cccs3)oc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is XUZRKXROXPGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S2/c1-6-26(7-2)32(28,29)16-10-11-19(25(4)5)18(13-16)23-21(27)14-17-15(3)30-22(24-17)20-9-8-12-31-20/h8-13H,6-7,14H2,1-5H3,(H,23,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 476.62 g/mol, XLogP of 3.99, 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-(dimethylamino)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24627403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).