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

C18H20ClNO2S — CID 90623752

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC(OC)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO2S/c1-3-23-17-11-7-5-9-14(17)18(21)20-12-16(22-2)13-8-4-6-10-15(13)19/h4-11,16H,3,12H2,1-2H3,(H,20,21)
InChIKeyFRYGWKRYVROILV-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.57
Rot. Bonds7

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

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide (PubChem CID 90623752) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
PubChem CID90623752
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC(OC)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO2S/c1-3-23-17-11-7-5-9-14(17)18(21)20-12-16(22-2)13-8-4-6-10-15(13)19/h4-11,16H,3,12H2,1-2H3,(H,20,21)
InChIKeyFRYGWKRYVROILV-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99634092
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-methylthiophene-2-carboxamide
CID 90623686
2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598769
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90623793
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 97105946

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide (CID 90623752) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NCC(OC)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide?
The InChIKey is FRYGWKRYVROILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-3-23-17-11-7-5-9-14(17)18(21)20-12-16(22-2)13-8-4-6-10-15(13)19/h4-11,16H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide has a molecular weight of 349.88 g/mol, XLogP of 4.57, 7 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-ethylsulfanylbenzamide is sourced from PubChem (CID 90623752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).