N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

C23H26N4O4S2 — CID 654863

IUPACN-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C23H26N4O4S2/c28-20(24-17-7-4-5-8-17)14-27(13-19-11-6-12-32-19)22(29)16-33-23-26-25-21(31-23)15-30-18-9-2-1-3-10-18/h1-3,6,9-12,17H,4-5,7-8,13-16H2,(H,24,28)
InChIKeyUBMYGEGLDITEMZ-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.89
Rot. Bonds11

About N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide

N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 654863) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID654863
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC NameN-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C23H26N4O4S2/c28-20(24-17-7-4-5-8-17)14-27(13-19-11-6-12-32-19)22(29)16-33-23-26-25-21(31-23)15-30-18-9-2-1-3-10-18/h1-3,6,9-12,17H,4-5,7-8,13-16H2,(H,24,28)
InChIKeyUBMYGEGLDITEMZ-UHFFFAOYSA-N
XLogP3.89
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]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-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide (CID 654863) is N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is UBMYGEGLDITEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c28-20(24-17-7-4-5-8-17)14-27(13-19-11-6-12-32-19)22(29)16-33-23-26-25-21(31-23)15-30-18-9-2-1-3-10-18/h1-3,6,9-12,17H,4-5,7-8,13-16H2,(H,24,28).
What are the key properties of N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide?
N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 486.62 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 654863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).