N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

C15H19ClN4O2S — CID 134040164

IUPACN-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOCCn1cnnc1SCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H19ClN4O2S/c1-22-8-7-20-11-18-19-15(20)23-9-6-14(21)17-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,21)
InChIKeyZNUVYHQSGUZJJO-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.38
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 134040164) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID134040164
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOCCn1cnnc1SCCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H19ClN4O2S/c1-22-8-7-20-11-18-19-15(20)23-9-6-14(21)17-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,21)
InChIKeyZNUVYHQSGUZJJO-UHFFFAOYSA-N
XLogP2.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 78828271
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 78759792
N-[(2-chlorophenyl)methyl]-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 55483018
N-[(2-chlorophenyl)methyl]-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
CID 55482175
N-[(2-chlorophenyl)methyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7455992
N-[(2-chlorophenyl)methyl]-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 55482457
N-[(2-chlorophenyl)methyl]-3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 35625178
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
N-[(2-chlorophenyl)methyl]-3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55482327
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(2-chlorophenyl)methyl]-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4580812

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 134040164) is N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is COCCn1cnnc1SCCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is ZNUVYHQSGUZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-22-8-7-20-11-18-19-15(20)23-9-6-14(21)17-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 354.86 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 134040164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).