N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

C19H22N2OS — CID 119777713

IUPACN-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-19(13-16-8-6-12-20-16)21-14-15-7-4-5-11-18(15)23-17-9-2-1-3-10-17/h1-5,7,9-11,16,20H,6,8,12-14H2,(H,21,22)
InChIKeyLPSPNCTYKLWVOL-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.60
Rot. Bonds6

About N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119777713) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119777713
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS/c22-19(13-16-8-6-12-20-16)21-14-15-7-4-5-11-18(15)23-17-9-2-1-3-10-17/h1-5,7,9-11,16,20H,6,8,12-14H2,(H,21,22)
InChIKeyLPSPNCTYKLWVOL-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119845632
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320171
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide
CID 119764045
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119777713) is N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1ccccc1Sc1ccccc1.
What is the InChIKey of N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is LPSPNCTYKLWVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-19(13-16-8-6-12-20-16)21-14-15-7-4-5-11-18(15)23-17-9-2-1-3-10-17/h1-5,7,9-11,16,20H,6,8,12-14H2,(H,21,22).
What are the key properties of N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 326.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119777713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).