2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C20H24N2OS — CID 30752050

IUPAC2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSCCc1ccccc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H24N2OS/c23-20(16-24-15-12-17-8-2-1-3-9-17)21-18-10-4-5-11-19(18)22-13-6-7-14-22/h1-5,8-11H,6-7,12-16H2,(H,21,23)
InChIKeyXQGCIONKVBREGX-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.20
Rot. Bonds7

About 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 30752050) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID30752050
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CSCCc1ccccc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H24N2OS/c23-20(16-24-15-12-17-8-2-1-3-9-17)21-18-10-4-5-11-19(18)22-13-6-7-14-22/h1-5,8-11H,6-7,12-16H2,(H,21,23)
InChIKeyXQGCIONKVBREGX-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.20
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

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30898769

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 30752050) is 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(CSCCc1ccccc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is XQGCIONKVBREGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-20(16-24-15-12-17-8-2-1-3-9-17)21-18-10-4-5-11-19(18)22-13-6-7-14-22/h1-5,8-11H,6-7,12-16H2,(H,21,23).
What are the key properties of 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 340.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 30752050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).