N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C24H20N2O2S — CID 1139390

IUPACN-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H20N2O2S/c27-23(17-28-21-14-8-3-9-15-21)26(16-19-10-4-1-5-11-19)24-25-22(18-29-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2
InChIKeyMAVVBZPOQOLLAW-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.42
Rot. Bonds7

About N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1139390) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1139390
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H20N2O2S/c27-23(17-28-21-14-8-3-9-15-21)26(16-19-10-4-1-5-11-19)24-25-22(18-29-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2
InChIKeyMAVVBZPOQOLLAW-UHFFFAOYSA-N
XLogP5.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1139390) is N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MAVVBZPOQOLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-23(17-28-21-14-8-3-9-15-21)26(16-19-10-4-1-5-11-19)24-25-22(18-29-24)20-12-6-2-7-13-20/h1-15,18H,16-17H2.
What are the key properties of N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1139390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).