2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide

C17H22N4OS — CID 24591796

IUPAC2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1n[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C17H22N4OS/c1-3-21(4-2)16(22)14(12-8-6-5-7-9-12)23-17-18-15(19-20-17)13-10-11-13/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,18,19,20)
InChIKeyLATTULGRMAQUOQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.38
Rot. Bonds7

About 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide (PubChem CID 24591796) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
PubChem CID24591796
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1n[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C17H22N4OS/c1-3-21(4-2)16(22)14(12-8-6-5-7-9-12)23-17-18-15(19-20-17)13-10-11-13/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,18,19,20)
InChIKeyLATTULGRMAQUOQ-UHFFFAOYSA-N
XLogP3.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide 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 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide (CID 24591796) is 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(Sc1n[nH]c(C2CC2)n1)c1ccccc1.
What is the InChIKey of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is LATTULGRMAQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-21(4-2)16(22)14(12-8-6-5-7-9-12)23-17-18-15(19-20-17)13-10-11-13/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide?
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 330.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 24591796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).