2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide

C20H22N6O5S2 — CID 76630988

IUPAC2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=NOCc2ncccn2)C(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C20H22N6O5S2/c1-14-12-23-20(32-14)25-19(27)18(26-31-13-17-21-8-3-9-22-17)15-4-6-16(7-5-15)33(28,29)24-10-11-30-2/h3-9,12,24H,10-11,13H2,1-2H3,(H,23,25,27)
InChIKeyQVFAXICMFNSJRW-UHFFFAOYSA-N
MW490.57 g/mol
LogP1.73
Rot. Bonds11

About 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide

2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide (PubChem CID 76630988) has the molecular formula C20H22N6O5S2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide
PubChem CID76630988
Molecular FormulaC20H22N6O5S2
Molecular Weight490.57 g/mol
Exact Mass490.11
IUPAC Name2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=NOCc2ncccn2)C(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C20H22N6O5S2/c1-14-12-23-20(32-14)25-19(27)18(26-31-13-17-21-8-3-9-22-17)15-4-6-16(7-5-15)33(28,29)24-10-11-30-2/h3-9,12,24H,10-11,13H2,1-2H3,(H,23,25,27)
InChIKeyQVFAXICMFNSJRW-UHFFFAOYSA-N
XLogP1.73
TPSA144.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 76630526
2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methoxypyrazin-2-yl)-2-(1,3-thiazol-2-ylmethoxyimino)acetamide
CID 76630990
2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91422716
N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
CID 76630845
N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 91033963
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
CID 76631383
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630653
N-(5-methyl-1,3-thiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804829
2-(4-cyclopropylsulfonylphenyl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-(1-pyrimidin-2-ylethoxyimino)acetamide
CID 76630183
2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-methylazetidin-3-yl)oxy-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630602
2-[4-[cyclopropen-1-yl(dihydroxy)-λ4-sulfanyl]phenyl]-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-(1,3-thiazol-2-ylmethoxyimino)acetamide
CID 123739387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide?
The IUPAC name of 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide (CID 76630988) is 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide?
The canonical SMILES for 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide is COCCNS(=O)(=O)c1ccc(C(=NOCc2ncccn2)C(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide?
The InChIKey is QVFAXICMFNSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5S2/c1-14-12-23-20(32-14)25-19(27)18(26-31-13-17-21-8-3-9-22-17)15-4-6-16(7-5-15)33(28,29)24-10-11-30-2/h3-9,12,24H,10-11,13H2,1-2H3,(H,23,25,27).
What are the key properties of 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide?
2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide has a molecular weight of 490.57 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide is sourced from PubChem (CID 76630988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).