N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

C20H20N4O2S — CID 24793345

IUPACN-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCCc1ccccc1
InChIInChI=1S/C20H20N4O2S/c25-19(21-12-11-16-7-3-1-4-8-16)14-24(13-17-9-5-2-6-10-17)20(26)18-15-27-23-22-18/h1-10,15H,11-14H2,(H,21,25)
InChIKeyUIOZJWIASWDAHK-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.54
Rot. Bonds8

About N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide

N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (PubChem CID 24793345) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
PubChem CID24793345
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
SMILESO=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCCc1ccccc1
InChIInChI=1S/C20H20N4O2S/c25-19(21-12-11-16-7-3-1-4-8-16)14-24(13-17-9-5-2-6-10-17)20(26)18-15-27-23-22-18/h1-10,15H,11-14H2,(H,21,25)
InChIKeyUIOZJWIASWDAHK-UHFFFAOYSA-N
XLogP2.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide 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-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide (CID 24793345) is N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is O=C(CN(Cc1ccccc1)C(=O)c1csnn1)NCCc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
The InChIKey is UIOZJWIASWDAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19(21-12-11-16-7-3-1-4-8-16)14-24(13-17-9-5-2-6-10-17)20(26)18-15-27-23-22-18/h1-10,15H,11-14H2,(H,21,25).
What are the key properties of N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide?
N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24793345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).