N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide

C18H20N2OS — CID 4879989

IUPACN-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H20N2OS/c21-18(14-20-12-6-7-13-20)19-16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,19,21)
InChIKeyCAUMIYXIJPXECZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.87
Rot. Bonds5

About N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide

N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 4879989) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID4879989
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H20N2OS/c21-18(14-20-12-6-7-13-20)19-16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,19,21)
InChIKeyCAUMIYXIJPXECZ-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2402500
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2685640
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777
2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 55988345
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-2-carboxamide
CID 17417342
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] pyrrolidine-1-carbodithioate
CID 7607354
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112845023
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide (CID 4879989) is N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is CAUMIYXIJPXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(14-20-12-6-7-13-20)19-16-10-4-5-11-17(16)22-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,19,21).
What are the key properties of N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 312.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4879989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).