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

C17H18FN5O3S — CID 2449192

IUPACN-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCn1c(SCC(=O)NC(=O)CN2CCCC2=O)nnc1-c1ccc(F)cc1
InChIInChI=1S/C17H18FN5O3S/c1-22-16(11-4-6-12(18)7-5-11)20-21-17(22)27-10-14(25)19-13(24)9-23-8-2-3-15(23)26/h4-7H,2-3,8-10H2,1H3,(H,19,24,25)
InChIKeyGZPPFEJBYOPAJR-UHFFFAOYSA-N
MW391.43 g/mol
LogP0.98
Rot. Bonds6

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

N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 2449192) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID2449192
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC NameN-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCn1c(SCC(=O)NC(=O)CN2CCCC2=O)nnc1-c1ccc(F)cc1
InChIInChI=1S/C17H18FN5O3S/c1-22-16(11-4-6-12(18)7-5-11)20-21-17(22)27-10-14(25)19-13(24)9-23-8-2-3-15(23)26/h4-7H,2-3,8-10H2,1H3,(H,19,24,25)
InChIKeyGZPPFEJBYOPAJR-UHFFFAOYSA-N
XLogP0.98
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)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-Cyclopentyl-2-(4-methyl-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 861737
N-methyl-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 1154379
2-[[4-Cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2469975
2-[[4-Cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 4881079
N-Isopropyl-2-[4-(3-methoxy-propyl)-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 644545
N-tert-Butyl-2-[4-(3-methoxy-propyl)-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 656035
2-(4-amino-5-phenyl(1,2,4-triazol-3-ylthio))-N,N-diethylacetamide
CID 662947
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N,N-dipropylacetamide
CID 734979
N-benzyl-2-[(4-ethyl-5-{[(4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1022006
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2468435
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 2477671
6-Amino-5-[2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2481465

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 2449192) is N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cn1c(SCC(=O)NC(=O)CN2CCCC2=O)nnc1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GZPPFEJBYOPAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c1-22-16(11-4-6-12(18)7-5-11)20-21-17(22)27-10-14(25)19-13(24)9-23-8-2-3-15(23)26/h4-7H,2-3,8-10H2,1H3,(H,19,24,25).
What are the key properties of N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2449192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).