N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H18N4OS — CID 2661065

IUPACN-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)NC1CCCC1
InChIInChI=1S/C15H18N4OS/c20-14(17-12-6-4-5-7-12)10-21-15-18-16-11-19(15)13-8-2-1-3-9-13/h1-3,8-9,11-12H,4-7,10H2,(H,17,20)
InChIKeyGVXXAUIUJZFNMB-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.42
Rot. Bonds5

About N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2661065) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2661065
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)NC1CCCC1
InChIInChI=1S/C15H18N4OS/c20-14(17-12-6-4-5-7-12)10-21-15-18-16-11-19(15)13-8-2-1-3-9-13/h1-3,8-9,11-12H,4-7,10H2,(H,17,20)
InChIKeyGVXXAUIUJZFNMB-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]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-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2661065) is N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nncn1-c1ccccc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GVXXAUIUJZFNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(17-12-6-4-5-7-12)10-21-15-18-16-11-19(15)13-8-2-1-3-9-13/h1-3,8-9,11-12H,4-7,10H2,(H,17,20).
What are the key properties of N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2661065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).