2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide

C20H22N2O2S — CID 86928580

IUPAC2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N2O2S/c1-15(25-18-10-3-2-4-11-18)19(23)21-17-9-7-8-16(14-17)20(24)22-12-5-6-13-22/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,21,23)
InChIKeyGKRZVIKKHBOEGR-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.04
Rot. Bonds5

About 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide

2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 86928580) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID86928580
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N2O2S/c1-15(25-18-10-3-2-4-11-18)19(23)21-17-9-7-8-16(14-17)20(24)22-12-5-6-13-22/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,21,23)
InChIKeyGKRZVIKKHBOEGR-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55597478
3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid
CID 18901275
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
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[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
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N-[2-oxo-1-phenyl-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]benzamide
CID 55599784
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 54815077
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
(2R)-2-phenylsulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 9344246
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 86928580) is 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide is CC(Sc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is GKRZVIKKHBOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15(25-18-10-3-2-4-11-18)19(23)21-17-9-7-8-16(14-17)20(24)22-12-5-6-13-22/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,21,23).
What are the key properties of 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 354.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 86928580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).