N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide

C23H26N2OS — CID 39766171

IUPACN-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)CCSc1cc(C)c2ccccc2n1
InChIInChI=1S/C23H26N2OS/c1-4-17-9-8-10-18(5-2)23(17)25-21(26)13-14-27-22-15-16(3)19-11-6-7-12-20(19)24-22/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,26)
InChIKeyWQSFOYYOWZYSEZ-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.79
Rot. Bonds7

About N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide

N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide (PubChem CID 39766171) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
PubChem CID39766171
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)CCSc1cc(C)c2ccccc2n1
InChIInChI=1S/C23H26N2OS/c1-4-17-9-8-10-18(5-2)23(17)25-21(26)13-14-27-22-15-16(3)19-11-6-7-12-20(19)24-22/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,26)
InChIKeyWQSFOYYOWZYSEZ-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide 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-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
2-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoic acid
CID 46302630
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
CID 25408330
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
CID 23745984
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
N-(2,6-diethylphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532004
N-(2,6-diethylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7421338

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide (CID 39766171) is N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide is CCc1cccc(CC)c1NC(=O)CCSc1cc(C)c2ccccc2n1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is WQSFOYYOWZYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-4-17-9-8-10-18(5-2)23(17)25-21(26)13-14-27-22-15-16(3)19-11-6-7-12-20(19)24-22/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,26).
What are the key properties of N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 378.54 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 39766171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).