(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

C25H32N4O2S — CID 30632840

IUPAC(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C25H32N4O2S/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-22-11-5-6-12-23(22)32-21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyDWOGLAVTOUHGKG-HXUWFJFHSA-N
MW452.62 g/mol
LogP3.40
Rot. Bonds7

About (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 30632840) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID30632840
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC Name(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C25H32N4O2S/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-22-11-5-6-12-23(22)32-21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyDWOGLAVTOUHGKG-HXUWFJFHSA-N
XLogP3.40
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632833
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088
[(2S)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] pyrrolidine-1-carbodithioate
CID 8539488
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide (CID 30632840) is (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide is C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is DWOGLAVTOUHGKG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-22-11-5-6-12-23(22)32-21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/t20-/m1/s1.
What are the key properties of (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 452.62 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 30632840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).