N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline

C20H25ClN2OS — CID 3024717

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline
SMILESClc1ccc(SCCN(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25ClN2OS/c21-18-6-8-20(9-7-18)25-17-14-23(19-4-2-1-3-5-19)11-10-22-12-15-24-16-13-22/h1-9H,10-17H2
InChIKeyKUPBTSHLOIXJEP-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline

N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 3024717) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline
PubChem CID3024717
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline
SMILESClc1ccc(SCCN(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H25ClN2OS/c21-18-6-8-20(9-7-18)25-17-14-23(19-4-2-1-3-5-19)11-10-22-12-15-24-16-13-22/h1-9H,10-17H2
InChIKeyKUPBTSHLOIXJEP-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline 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-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline (CID 3024717) is N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline is Clc1ccc(SCCN(CCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is KUPBTSHLOIXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OS/c21-18-6-8-20(9-7-18)25-17-14-23(19-4-2-1-3-5-19)11-10-22-12-15-24-16-13-22/h1-9H,10-17H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline?
N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 376.95 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 3024717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).