N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide

C17H18ClNO2S — CID 90623724

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
SMILESCOC(CNC(=O)c1ccccc1SC)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c1-21-15(12-7-3-5-9-14(12)18)11-19-17(20)13-8-4-6-10-16(13)22-2/h3-10,15H,11H2,1-2H3,(H,19,20)
InChIKeyTZURMIASTUYDMA-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.18
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide (PubChem CID 90623724) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
PubChem CID90623724
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
SMILESCOC(CNC(=O)c1ccccc1SC)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c1-21-15(12-7-3-5-9-14(12)18)11-19-17(20)13-8-4-6-10-16(13)22-2/h3-10,15H,11H2,1-2H3,(H,19,20)
InChIKeyTZURMIASTUYDMA-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide 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-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99634092
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90623793
4-bromo-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99876156
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide (CID 90623724) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide is COC(CNC(=O)c1ccccc1SC)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
The InChIKey is TZURMIASTUYDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-21-15(12-7-3-5-9-14(12)18)11-19-17(20)13-8-4-6-10-16(13)22-2/h3-10,15H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide has a molecular weight of 335.86 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 90623724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).