N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide

C17H18ClN3O4S2 — CID 76630402

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1
InChIInChI=1S/C17H18ClN3O4S2/c1-27(23,24)13-8-6-11(7-9-13)15(21-25-12-4-2-3-5-12)16(22)20-17-19-10-14(18)26-17/h6-10,12H,2-5H2,1H3,(H,19,20,22)
InChIKeyVFGDPVGOMULHTQ-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.50
Rot. Bonds6

About N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide

N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 76630402) has the molecular formula C17H18ClN3O4S2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide
PubChem CID76630402
Molecular FormulaC17H18ClN3O4S2
Molecular Weight427.94 g/mol
Exact Mass427.04
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1
InChIInChI=1S/C17H18ClN3O4S2/c1-27(23,24)13-8-6-11(7-9-13)15(21-25-12-4-2-3-5-12)16(22)20-17-19-10-14(18)26-17/h6-10,12H,2-5H2,1H3,(H,19,20,22)
InChIKeyVFGDPVGOMULHTQ-UHFFFAOYSA-N
XLogP3.50
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-2-(oxan-4-yloxyimino)acetamide
CID 76631393
[[amino-[2-[[2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-thiazol-5-yl]methylidene]amino] ethyl carbonate
CID 136660542
2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)-N-[5-[(pyridin-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 76631224
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
ethyl 3-[[2-[[2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoate
CID 76631248
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-hydroxycyclohexyl)oxyiminoacetamide
CID 76630828
2-(4-cyclobutylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90984512
2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-hydroxyethyl)pyrazin-2-yl]acetamide
CID 76630192
2-cyclopentyloxyimino-2-(4-cyclopropylsulfonylphenyl)-N-[5-[[1-(2-methoxyacetyl)piperidin-4-yl]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 76631364
(E)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 10025410
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90913754
(2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyimino-N-(1-methylpyrazol-3-yl)acetamide
CID 59745098

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide (CID 76630402) is N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(C(=NOC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is VFGDPVGOMULHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S2/c1-27(23,24)13-8-6-11(7-9-13)15(21-25-12-4-2-3-5-12)16(22)20-17-19-10-14(18)26-17/h6-10,12H,2-5H2,1H3,(H,19,20,22).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide?
N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 427.94 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-2-cyclopentyloxyimino-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 76630402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).