N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide

C17H19FN4O2S — CID 8724361

IUPACN-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide
SMILESCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2F)nnc1C1CC1
InChIInChI=1S/C17H19FN4O2S/c1-3-22-16(11-4-5-11)20-21-17(22)25-9-15(24)13-7-6-12(8-14(13)18)19-10(2)23/h6-8,11H,3-5,9H2,1-2H3,(H,19,23)
InChIKeyUGDBVYATUPZMTD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.25
Rot. Bonds7

About N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide

N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide (PubChem CID 8724361) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide
PubChem CID8724361
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide
SMILESCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2F)nnc1C1CC1
InChIInChI=1S/C17H19FN4O2S/c1-3-22-16(11-4-5-11)20-21-17(22)25-9-15(24)13-7-6-12(8-14(13)18)19-10(2)23/h6-8,11H,3-5,9H2,1-2H3,(H,19,23)
InChIKeyUGDBVYATUPZMTD-UHFFFAOYSA-N
XLogP3.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide 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-[3-acetamido-4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide
CID 8959779
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 855130
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 855136
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 8724282
N-[2-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-fluorophenyl]ethyl]acetamide
CID 46484083
N-(3-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8723716
N-(3-acetylphenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855094
N-[4-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide
CID 8879003
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8724023
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 27272546
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 8724171
N-(3-chlorophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3217163

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide (CID 8724361) is N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide is CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2F)nnc1C1CC1.
What is the InChIKey of N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?
The InChIKey is UGDBVYATUPZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-3-22-16(11-4-5-11)20-21-17(22)25-9-15(24)13-7-6-12(8-14(13)18)19-10(2)23/h6-8,11H,3-5,9H2,1-2H3,(H,19,23).
What are the key properties of N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide?
N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 8724361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).