N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide

C21H26N4O6S2 — CID 90913754

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
SMILESCc1cnc(NC(=O)C(=NO[C@@H]2CCOC2)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)s1
InChIInChI=1S/C21H26N4O6S2/c1-14-11-22-21(32-14)24-20(26)19(25-31-17-8-10-29-13-17)15-4-6-18(7-5-15)33(27,28)23-12-16-3-2-9-30-16/h4-7,11,16-17,23H,2-3,8-10,12-13H2,1H3,(H,22,24,26)/t16-,17-/m1/s1
InChIKeyIDNZDOBJVRGCIB-IAGOWNOFSA-N
MW494.60 g/mol
LogP2.06
Rot. Bonds9

About N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide (PubChem CID 90913754) has the molecular formula C21H26N4O6S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
PubChem CID90913754
Molecular FormulaC21H26N4O6S2
Molecular Weight494.60 g/mol
Exact Mass494.13
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
SMILESCc1cnc(NC(=O)C(=NO[C@@H]2CCOC2)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)s1
InChIInChI=1S/C21H26N4O6S2/c1-14-11-22-21(32-14)24-20(26)19(25-31-17-8-10-29-13-17)15-4-6-18(7-5-15)33(27,28)23-12-16-3-2-9-30-16/h4-7,11,16-17,23H,2-3,8-10,12-13H2,1H3,(H,22,24,26)/t16-,17-/m1/s1
InChIKeyIDNZDOBJVRGCIB-IAGOWNOFSA-N
XLogP2.06
TPSA128.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide 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

2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91491546
2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91422716
2-[4-[(2-amino-2-oxoethyl)sulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91337791
2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91142425
2-(4-cyclobutylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90984512
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91239224
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91409632
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-2-(oxan-4-yloxyimino)acetamide
CID 76631393
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[(3R)-3-methylpiperazin-1-yl]sulfonylphenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91215577
2-(4-cyclopropylsulfonylphenyl)-N-[5-(1,4-diazepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91463326
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
2-(4-cyclopropylsulfonylphenyl)-N-[7-(methylamino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91110485

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide (CID 90913754) is N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide is Cc1cnc(NC(=O)C(=NO[C@@H]2CCOC2)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?
The InChIKey is IDNZDOBJVRGCIB-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H26N4O6S2/c1-14-11-22-21(32-14)24-20(26)19(25-31-17-8-10-29-13-17)15-4-6-18(7-5-15)33(27,28)23-12-16-3-2-9-30-16/h4-7,11,16-17,23H,2-3,8-10,12-13H2,1H3,(H,22,24,26)/t16-,17-/m1/s1.
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide has a molecular weight of 494.60 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide is sourced from PubChem (CID 90913754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).