N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide

C22H21NO2S — CID 43001675

IUPACN-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1cccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO2S/c1-25-19-12-8-9-17(15-19)16-23-22(24)21(18-10-4-2-5-11-18)26-20-13-6-3-7-14-20/h2-15,21H,16H2,1H3,(H,23,24)
InChIKeyJSMXMKXDDVAWKX-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.84
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide

N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 43001675) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID43001675
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1cccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO2S/c1-25-19-12-8-9-17(15-19)16-23-22(24)21(18-10-4-2-5-11-18)26-20-13-6-3-7-14-20/h2-15,21H,16H2,1H3,(H,23,24)
InChIKeyJSMXMKXDDVAWKX-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
(2S)-2-phenyl-2-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26207800
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 43001675) is N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide is COc1cccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is JSMXMKXDDVAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-25-19-12-8-9-17(15-19)16-23-22(24)21(18-10-4-2-5-11-18)26-20-13-6-3-7-14-20/h2-15,21H,16H2,1H3,(H,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 363.48 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 43001675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).