N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide

C32H26N2O3S — CID 126202408

IUPACN-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
SMILESCc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(Oc4ccccc4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C32H26N2O3S/c1-22-12-14-25(15-13-22)31-30(24-8-4-2-5-9-24)34-32(38-31)33-29(36)21-20-28(35)23-16-18-27(19-17-23)37-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,33,34,36)
InChIKeyUFGRDMFGJPECOI-UHFFFAOYSA-N
MW518.64 g/mol
LogP8.18
Rot. Bonds9

About N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide

N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide (PubChem CID 126202408) has the molecular formula C32H26N2O3S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
PubChem CID126202408
Molecular FormulaC32H26N2O3S
Molecular Weight518.64 g/mol
Exact Mass518.17
IUPAC NameN-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide
SMILESCc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(Oc4ccccc4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C32H26N2O3S/c1-22-12-14-25(15-13-22)31-30(24-8-4-2-5-9-24)34-32(38-31)33-29(36)21-20-28(35)23-16-18-27(19-17-23)37-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,33,34,36)
InChIKeyUFGRDMFGJPECOI-UHFFFAOYSA-N
XLogP8.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide 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

4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210782
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126213988
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide?
The IUPAC name of N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide (CID 126202408) is N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide?
The canonical SMILES for N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide is Cc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(Oc4ccccc4)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide?
The InChIKey is UFGRDMFGJPECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3S/c1-22-12-14-25(15-13-22)31-30(24-8-4-2-5-9-24)34-32(38-31)33-29(36)21-20-28(35)23-16-18-27(19-17-23)37-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,33,34,36).
What are the key properties of N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide?
N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide has a molecular weight of 518.64 g/mol, XLogP of 8.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxo-4-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 126202408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).