N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide

C22H21NO2S — CID 16547374

IUPACN-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCOc1ccccc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c24-22(23-16-17-25-19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)26-20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24)
InChIKeyRMLXHSIOWPEKFN-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.72
Rot. Bonds8

About N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide

N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 16547374) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID16547374
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCOc1ccccc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c24-22(23-16-17-25-19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)26-20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24)
InChIKeyRMLXHSIOWPEKFN-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 2956623
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide (CID 16547374) is N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(NCCOc1ccccc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is RMLXHSIOWPEKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-22(23-16-17-25-19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)26-20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,23,24).
What are the key properties of N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 363.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 16547374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).