N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide

C23H26N2OS — CID 7363744

IUPACN-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCc1cc(SCC(=O)N(Cc2ccccc2)C(C)C)nc2c(C)cccc12
InChIInChI=1S/C23H26N2OS/c1-16(2)25(14-19-10-6-5-7-11-19)22(26)15-27-21-13-18(4)20-12-8-9-17(3)23(20)24-21/h5-13,16H,14-15H2,1-4H3
InChIKeyONUJZUMFJQYEOP-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.38
Rot. Bonds6

About N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide

N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 7363744) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID7363744
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC NameN-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCc1cc(SCC(=O)N(Cc2ccccc2)C(C)C)nc2c(C)cccc12
InChIInChI=1S/C23H26N2OS/c1-16(2)25(14-19-10-6-5-7-11-19)22(26)15-27-21-13-18(4)20-12-8-9-17(3)23(20)24-21/h5-13,16H,14-15H2,1-4H3
InChIKeyONUJZUMFJQYEOP-UHFFFAOYSA-N
XLogP5.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide 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

2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
(2S)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363762
(2R)-N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methylpropanamide
CID 7363763
N-benzyl-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 16531383
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9456581
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
1-carbazol-9-yl-4-methylpentan-3-one;1-(4,8-dimethylquinolin-2-yl)sulfanyl-3-methylbutan-2-one
CID 160545556
2-ethylsulfanyl-4,8-dimethylquinoline
CID 39774365
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357
N-benzyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2623211

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide (CID 7363744) is N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide is Cc1cc(SCC(=O)N(Cc2ccccc2)C(C)C)nc2c(C)cccc12.
What is the InChIKey of N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is ONUJZUMFJQYEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-16(2)25(14-19-10-6-5-7-11-19)22(26)15-27-21-13-18(4)20-12-8-9-17(3)23(20)24-21/h5-13,16H,14-15H2,1-4H3.
What are the key properties of N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide?
N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 378.54 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 7363744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).