3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

C19H23N5O3S — CID 8975471

IUPAC3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
SMILESCCn1c(CCC(N)=O)nnc1SCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H23N5O3S/c1-2-23-17(10-9-16(20)26)21-22-19(23)28-12-15(25)13-5-7-14(8-6-13)24-11-3-4-18(24)27/h5-8H,2-4,9-12H2,1H3,(H2,20,26)
InChIKeyMNOZPQSMBRIRMN-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.82
Rot. Bonds9

About 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide (PubChem CID 8975471) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
PubChem CID8975471
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide
SMILESCCn1c(CCC(N)=O)nnc1SCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H23N5O3S/c1-2-23-17(10-9-16(20)26)21-22-19(23)28-12-15(25)13-5-7-14(8-6-13)24-11-3-4-18(24)27/h5-8H,2-4,9-12H2,1H3,(H2,20,26)
InChIKeyMNOZPQSMBRIRMN-UHFFFAOYSA-N
XLogP1.82
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]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

1-[4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 8844789
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 46610826
1-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]pyrrolidin-2-one
CID 27139734
1-[4-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 8751334
1-(4-heptanoylphenyl)pyrrolidin-2-one
CID 114752117
3-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide
CID 8963340
1-[4-[2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 8752671
N-[4-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanylphenyl]acetamide
CID 8881981
4-[[(2S)-oxolan-2-yl]methyl]-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 8935110
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134
3-[4-(oxolan-2-ylmethyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]propanamide
CID 75869253
1-[4-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 55404466

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide (CID 8975471) is 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide is CCn1c(CCC(N)=O)nnc1SCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide?
The InChIKey is MNOZPQSMBRIRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-2-23-17(10-9-16(20)26)21-22-19(23)28-12-15(25)13-5-7-14(8-6-13)24-11-3-4-18(24)27/h5-8H,2-4,9-12H2,1H3,(H2,20,26).
What are the key properties of 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide?
3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 8975471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).