N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide

C28H21ClN2O5S — CID 46303338

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C28H21ClN2O5S/c1-16(27(33)31-28-30-22(15-37-28)17-7-11-19(29)12-8-17)35-26-24(32)21-5-3-4-6-23(21)36-25(26)18-9-13-20(34-2)14-10-18/h3-16H,1-2H3,(H,30,31,33)
InChIKeyHCMZMINNWRSLHZ-UHFFFAOYSA-N
MW533.01 g/mol
LogP6.65
Rot. Bonds7

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide (PubChem CID 46303338) has the molecular formula C28H21ClN2O5S and a molecular weight of 533.01 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
PubChem CID46303338
Molecular FormulaC28H21ClN2O5S
Molecular Weight533.01 g/mol
Exact Mass532.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C28H21ClN2O5S/c1-16(27(33)31-28-30-22(15-37-28)17-7-11-19(29)12-8-17)35-26-24(32)21-5-3-4-6-23(21)36-25(26)18-9-13-20(34-2)14-10-18/h3-16H,1-2H3,(H,30,31,33)
InChIKeyHCMZMINNWRSLHZ-UHFFFAOYSA-N
XLogP6.65
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.01
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide 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-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 46303341
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303344
2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
CID 46303284
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
2-(4-chloro-2-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19194808
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide (CID 46303338) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide is COc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide?
The InChIKey is HCMZMINNWRSLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O5S/c1-16(27(33)31-28-30-22(15-37-28)17-7-11-19(29)12-8-17)35-26-24(32)21-5-3-4-6-23(21)36-25(26)18-9-13-20(34-2)14-10-18/h3-16H,1-2H3,(H,30,31,33).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide has a molecular weight of 533.01 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide is sourced from PubChem (CID 46303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).