N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide

C22H28N2OS — CID 60532999

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(CNC(=O)C(Sc1ccccc1)c1ccccc1)CN1CCCC1
InChIInChI=1S/C22H28N2OS/c1-18(17-24-14-8-9-15-24)16-23-22(25)21(19-10-4-2-5-11-19)26-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,23,25)
InChIKeyUJHWXRPXIFNPSM-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.37
Rot. Bonds8

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 60532999) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID60532999
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(CNC(=O)C(Sc1ccccc1)c1ccccc1)CN1CCCC1
InChIInChI=1S/C22H28N2OS/c1-18(17-24-14-8-9-15-24)16-23-22(25)21(19-10-4-2-5-11-19)26-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,23,25)
InChIKeyUJHWXRPXIFNPSM-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 112845969
propan-2-yl (2S)-2-methyl-3-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]propanoate
CID 95781063
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
CID 87036337
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide (CID 60532999) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide is CC(CNC(=O)C(Sc1ccccc1)c1ccccc1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is UJHWXRPXIFNPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-18(17-24-14-8-9-15-24)16-23-22(25)21(19-10-4-2-5-11-19)26-20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3,(H,23,25).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 368.55 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 60532999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).