N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C17H17N3O3S3 — CID 55960719

IUPACN-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H17N3O3S3/c1-2-26(22,23)20-14-5-3-13(4-6-14)18-16(21)9-15-11-25-17(19-15)12-7-8-24-10-12/h3-8,10-11,20H,2,9H2,1H3,(H,18,21)
InChIKeyYBYOWJXLIYSDMD-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55960719) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55960719
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC NameN-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H17N3O3S3/c1-2-26(22,23)20-14-5-3-13(4-6-14)18-16(21)9-15-11-25-17(19-15)12-7-8-24-10-12/h3-8,10-11,20H,2,9H2,1H3,(H,18,21)
InChIKeyYBYOWJXLIYSDMD-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26958590
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46692032
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 48507454
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
CID 18275779
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129152
N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 26583201
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 55960719) is N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YBYOWJXLIYSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c1-2-26(22,23)20-14-5-3-13(4-6-14)18-16(21)9-15-11-25-17(19-15)12-7-8-24-10-12/h3-8,10-11,20H,2,9H2,1H3,(H,18,21).
What are the key properties of N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 407.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55960719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).