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

C26H30N4O4S — CID 3155199

IUPACN-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CSc2nnc(COc3ccccc3)o2)cc1
InChIInChI=1S/C26H30N4O4S/c1-19-11-13-20(14-12-19)15-30(16-23(31)27-21-7-5-6-8-21)25(32)18-35-26-29-28-24(34-26)17-33-22-9-3-2-4-10-22/h2-4,9-14,21H,5-8,15-18H2,1H3,(H,27,31)
InChIKeyDOMCALUURUWDEG-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.14
Rot. Bonds11

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

N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 3155199) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID3155199
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC NameN-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
SMILESCc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CSc2nnc(COc3ccccc3)o2)cc1
InChIInChI=1S/C26H30N4O4S/c1-19-11-13-20(14-12-19)15-30(16-23(31)27-21-7-5-6-8-21)25(32)18-35-26-29-28-24(34-26)17-33-22-9-3-2-4-10-22/h2-4,9-14,21H,5-8,15-18H2,1H3,(H,27,31)
InChIKeyDOMCALUURUWDEG-UHFFFAOYSA-N
XLogP4.14
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]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-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide (CID 3155199) is N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is Cc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CSc2nnc(COc3ccccc3)o2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is DOMCALUURUWDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-19-11-13-20(14-12-19)15-30(16-23(31)27-21-7-5-6-8-21)25(32)18-35-26-29-28-24(34-26)17-33-22-9-3-2-4-10-22/h2-4,9-14,21H,5-8,15-18H2,1H3,(H,27,31).
What are the key properties of N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide?
N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 494.62 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 3155199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).