2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C21H19N3OS — CID 25251087

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1cc(SCC(=O)N/N=C/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H19N3OS/c1-16-14-21(23-19-12-6-5-11-18(16)19)26-15-20(25)24-22-13-7-10-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,25)/b10-7+,22-13+
InChIKeyZNRHIINFCFATPH-QNUVFLEMSA-N
MW361.47 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 25251087) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID25251087
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCc1cc(SCC(=O)N/N=C/C=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H19N3OS/c1-16-14-21(23-19-12-6-5-11-18(16)19)26-15-20(25)24-22-13-7-10-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,25)/b10-7+,22-13+
InChIKeyZNRHIINFCFATPH-QNUVFLEMSA-N
XLogP4.45
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]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-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5445926
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 25251087) is 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is Cc1cc(SCC(=O)N/N=C/C=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is ZNRHIINFCFATPH-QNUVFLEMSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-16-14-21(23-19-12-6-5-11-18(16)19)26-15-20(25)24-22-13-7-10-17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,25)/b10-7+,22-13+.
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 361.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 25251087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).