N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide

C17H18Cl2N2OS — CID 10547048

IUPACN-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2OS/c1-21(2)10-9-17(22)20-14-5-3-4-6-16(14)23-15-8-7-12(18)11-13(15)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyNHMOQCPWEXROOA-UHFFFAOYSA-N
MW369.32 g/mol
LogP5.03
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide

N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide (PubChem CID 10547048) has the molecular formula C17H18Cl2N2OS and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide
PubChem CID10547048
Molecular FormulaC17H18Cl2N2OS
Molecular Weight369.32 g/mol
Exact Mass368.05
IUPAC NameN-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2OS/c1-21(2)10-9-17(22)20-14-5-3-4-6-16(14)23-15-8-7-12(18)11-13(15)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyNHMOQCPWEXROOA-UHFFFAOYSA-N
XLogP5.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide (CID 10547048) is N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide?
The InChIKey is NHMOQCPWEXROOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2OS/c1-21(2)10-9-17(22)20-14-5-3-4-6-16(14)23-15-8-7-12(18)11-13(15)19/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide?
N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide has a molecular weight of 369.32 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(dimethylamino)propanamide is sourced from PubChem (CID 10547048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).