2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C19H20N2O2S — CID 1322793

IUPAC2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C19H20N2O2S/c22-18(14-24-15-8-2-1-3-9-15)20-17-11-5-4-10-16(17)19(23)21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2,(H,20,22)
InChIKeyHQNUGVMLGRPTKN-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.65
Rot. Bonds5

About 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 1322793) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID1322793
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C19H20N2O2S/c22-18(14-24-15-8-2-1-3-9-15)20-17-11-5-4-10-16(17)19(23)21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2,(H,20,22)
InChIKeyHQNUGVMLGRPTKN-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 1296490
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 1322793) is 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is HQNUGVMLGRPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(14-24-15-8-2-1-3-9-15)20-17-11-5-4-10-16(17)19(23)21-12-6-7-13-21/h1-5,8-11H,6-7,12-14H2,(H,20,22).
What are the key properties of 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1322793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).