N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide

C22H33N2O6PS — CID 58266211

IUPACN-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide
SMILESCCOP(=O)(Cc1csc(NC(=O)Cc2ccc(OC(C)C)cc2OC(C)C)n1)OCC
InChIInChI=1S/C22H33N2O6PS/c1-7-27-31(26,28-8-2)13-18-14-32-22(23-18)24-21(25)11-17-9-10-19(29-15(3)4)12-20(17)30-16(5)6/h9-10,12,14-16H,7-8,11,13H2,1-6H3,(H,23,24,25)
InChIKeyCMCXKZUMRZNGJT-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.66
Rot. Bonds13

About N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide

N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide (PubChem CID 58266211) has the molecular formula C22H33N2O6PS and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide
PubChem CID58266211
Molecular FormulaC22H33N2O6PS
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC NameN-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide
SMILESCCOP(=O)(Cc1csc(NC(=O)Cc2ccc(OC(C)C)cc2OC(C)C)n1)OCC
InChIInChI=1S/C22H33N2O6PS/c1-7-27-31(26,28-8-2)13-18-14-32-22(23-18)24-21(25)11-17-9-10-19(29-15(3)4)12-20(17)30-16(5)6/h9-10,12,14-16H,7-8,11,13H2,1-6H3,(H,23,24,25)
InChIKeyCMCXKZUMRZNGJT-UHFFFAOYSA-N
XLogP5.66
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]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-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-propan-2-yloxy-5-[(3R)-pyrrolidin-3-yl]oxybenzamide
CID 58265915
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 59649312
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193346
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-[2-(4-fluorophenyl)ethoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 58265819
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(3R)-oxolan-3-yl]oxybenzamide;methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(3R)-oxolan-3-yl]oxybenzoate
CID 158717510
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-(4-methylsulfonylphenoxy)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 58266162
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-[(2S)-1-methoxypropan-2-yl]oxy-5-(2-methylsulfonylethoxy)benzamide;N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenacyloxybenzamide
CID 158475100
N-[4-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55789254
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 18568208
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide?
The IUPAC name of N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide (CID 58266211) is N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide?
The canonical SMILES for N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide is CCOP(=O)(Cc1csc(NC(=O)Cc2ccc(OC(C)C)cc2OC(C)C)n1)OCC.
What is the InChIKey of N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide?
The InChIKey is CMCXKZUMRZNGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N2O6PS/c1-7-27-31(26,28-8-2)13-18-14-32-22(23-18)24-21(25)11-17-9-10-19(29-15(3)4)12-20(17)30-16(5)6/h9-10,12,14-16H,7-8,11,13H2,1-6H3,(H,23,24,25).
What are the key properties of N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide?
N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-yl]-2-[2,4-di(propan-2-yloxy)phenyl]acetamide is sourced from PubChem (CID 58266211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).