2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C17H17N5O4S2 — CID 121064432

IUPAC2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1
InChIInChI=1S/C17H17N5O4S2/c1-2-12-9-16(24)22(11-19-12)10-15(23)20-13-3-5-14(6-4-13)28(25,26)21-17-18-7-8-27-17/h3-9,11H,2,10H2,1H3,(H,18,21)(H,20,23)
InChIKeyMXCPIPKATNFBJY-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.70
Rot. Bonds7

About 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 121064432) has the molecular formula C17H17N5O4S2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID121064432
Molecular FormulaC17H17N5O4S2
Molecular Weight419.49 g/mol
Exact Mass419.07
IUPAC Name2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1
InChIInChI=1S/C17H17N5O4S2/c1-2-12-9-16(24)22(11-19-12)10-15(23)20-13-3-5-14(6-4-13)28(25,26)21-17-18-7-8-27-17/h3-9,11H,2,10H2,1H3,(H,18,21)(H,20,23)
InChIKeyMXCPIPKATNFBJY-UHFFFAOYSA-N
XLogP1.70
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 121064311
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052762
2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 19530453
2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052518
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
2-(4-chloro-6-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide;methane
CID 161290040
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121051792

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 121064432) is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is CCc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1.
What is the InChIKey of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is MXCPIPKATNFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S2/c1-2-12-9-16(24)22(11-19-12)10-15(23)20-13-3-5-14(6-4-13)28(25,26)21-17-18-7-8-27-17/h3-9,11H,2,10H2,1H3,(H,18,21)(H,20,23).
What are the key properties of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 121064432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).