N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide

C24H19N3O3S — CID 46300029

IUPACN-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H19N3O3S/c28-20(16-30-19-14-8-3-9-15-19)25-24-26-21(17-10-4-1-5-11-17)23(31-24)27-22(29)18-12-6-2-7-13-18/h1-15H,16H2,(H,27,29)(H,25,26,28)
InChIKeyUMQHSAYETDSQCJ-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.08
Rot. Bonds7

About N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide

N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide (PubChem CID 46300029) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
PubChem CID46300029
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C24H19N3O3S/c28-20(16-30-19-14-8-3-9-15-19)25-24-26-21(17-10-4-1-5-11-17)23(31-24)27-22(29)18-12-6-2-7-13-18/h1-15H,16H2,(H,27,29)(H,25,26,28)
InChIKeyUMQHSAYETDSQCJ-UHFFFAOYSA-N
XLogP5.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065421
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
methyl N-[4-phenyl-5-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]-1,3-thiazol-2-yl]carbamate
CID 121065480
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 46299924
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426
N-[5-acetamido-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylphenoxy)acetamide
CID 46299927
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868476

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide (CID 46300029) is N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide is O=C(COc1ccccc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
The InChIKey is UMQHSAYETDSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-20(16-30-19-14-8-3-9-15-19)25-24-26-21(17-10-4-1-5-11-17)23(31-24)27-22(29)18-12-6-2-7-13-18/h1-15H,16H2,(H,27,29)(H,25,26,28).
What are the key properties of N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide?
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 46300029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).