2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C18H26N4OS — CID 51325261

IUPAC2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCCc1nc(SCC(=O)NC(C)c2ccc(CC(C)C)cc2)n[nH]1
InChIInChI=1S/C18H26N4OS/c1-5-16-20-18(22-21-16)24-11-17(23)19-13(4)15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyRJZYTHWHVRBRKB-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.54
Rot. Bonds8

About 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 51325261) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID51325261
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCCc1nc(SCC(=O)NC(C)c2ccc(CC(C)C)cc2)n[nH]1
InChIInChI=1S/C18H26N4OS/c1-5-16-20-18(22-21-16)24-11-17(23)19-13(4)15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyRJZYTHWHVRBRKB-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46692649
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7028863
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 51318109
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7722874
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 30474230
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 134038518
2-ethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 60636134
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 750824
2-[[5-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 42987920
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7210089
3-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 25476341

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 51325261) is 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is CCc1nc(SCC(=O)NC(C)c2ccc(CC(C)C)cc2)n[nH]1.
What is the InChIKey of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is RJZYTHWHVRBRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-16-20-18(22-21-16)24-11-17(23)19-13(4)15-8-6-14(7-9-15)10-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 3.54, 8 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-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 51325261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).