2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide

C16H22N4OS — CID 51325265

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
SMILESCCc1nc(SC(C)C(=O)NCC(C)c2ccccc2)n[nH]1
InChIInChI=1S/C16H22N4OS/c1-4-14-18-16(20-19-14)22-12(3)15(21)17-10-11(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyISWDTOVLVVHNLQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.77
Rot. Bonds7

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide (PubChem CID 51325265) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
PubChem CID51325265
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
SMILESCCc1nc(SC(C)C(=O)NCC(C)c2ccccc2)n[nH]1
InChIInChI=1S/C16H22N4OS/c1-4-14-18-16(20-19-14)22-12(3)15(21)17-10-11(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyISWDTOVLVVHNLQ-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)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

(2R)-N-[(2S)-2-phenylpropyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41075444
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 43051158
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 24600607
(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(2R)-2-phenylpropyl]propanamide
CID 8731155
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 24584510
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 51318086
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylpropanamide
CID 6501399
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-2-phenylpropyl]propanamide
CID 7756809
N-(4-ethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318031
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
N-(2,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318164
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
CID 46641076

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide (CID 51325265) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide is CCc1nc(SC(C)C(=O)NCC(C)c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?
The InChIKey is ISWDTOVLVVHNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-14-18-16(20-19-14)22-12(3)15(21)17-10-11(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide has a molecular weight of 318.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 51325265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).