N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide

C25H28N2O2S — CID 60545485

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCN(C)CCOc1cccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H28N2O2S/c1-27(2)16-17-29-22-13-9-10-20(18-22)19-26-25(28)24(21-11-5-3-6-12-21)30-23-14-7-4-8-15-23/h3-15,18,24H,16-17,19H2,1-2H3,(H,26,28)
InChIKeyPQEQRYCKPFGUSN-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.78
Rot. Bonds10

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

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 60545485) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID60545485
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCN(C)CCOc1cccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H28N2O2S/c1-27(2)16-17-29-22-13-9-10-20(18-22)19-26-25(28)24(21-11-5-3-6-12-21)30-23-14-7-4-8-15-23/h3-15,18,24H,16-17,19H2,1-2H3,(H,26,28)
InChIKeyPQEQRYCKPFGUSN-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 60545308
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
CID 120595243

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 60545485) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide is CN(C)CCOc1cccc(CNC(=O)C(Sc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is PQEQRYCKPFGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-27(2)16-17-29-22-13-9-10-20(18-22)19-26-25(28)24(21-11-5-3-6-12-21)30-23-14-7-4-8-15-23/h3-15,18,24H,16-17,19H2,1-2H3,(H,26,28).
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 420.58 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 60545485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).