N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C17H21N5O4S2 — CID 55947054

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1C
InChIInChI=1S/C17H21N5O4S2/c1-3-28(25,26)21-14-5-4-12(8-11(14)2)19-15(23)9-13-10-27-17(20-13)22-7-6-18-16(22)24/h4-5,8,10,21H,3,6-7,9H2,1-2H3,(H,18,24)(H,19,23)
InChIKeyUXMPEZLIEDZMAH-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.92
Rot. Bonds7

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

N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55947054) has the molecular formula C17H21N5O4S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55947054
Molecular FormulaC17H21N5O4S2
Molecular Weight423.52 g/mol
Exact Mass423.10
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1C
InChIInChI=1S/C17H21N5O4S2/c1-3-28(25,26)21-14-5-4-12(8-11(14)2)19-15(23)9-13-10-27-17(20-13)22-7-6-18-16(22)24/h4-5,8,10,21H,3,6-7,9H2,1-2H3,(H,18,24)(H,19,23)
InChIKeyUXMPEZLIEDZMAH-UHFFFAOYSA-N
XLogP1.92
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylsulfonylphenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55775962
N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55887416
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726516
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718893
N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
CID 55722966
N-(3-fluorophenyl)-3-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55888121
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726799
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729727
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718596
3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 167803382

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55947054) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UXMPEZLIEDZMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S2/c1-3-28(25,26)21-14-5-4-12(8-11(14)2)19-15(23)9-13-10-27-17(20-13)22-7-6-18-16(22)24/h4-5,8,10,21H,3,6-7,9H2,1-2H3,(H,18,24)(H,19,23).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55947054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).