(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide

C20H30N4O4S — CID 8689701

IUPAC(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H30N4O4S/c1-3-10-21-20(26)17(2)22-19(25)16-23-11-13-24(14-12-23)29(27,28)15-9-18-7-5-4-6-8-18/h4-9,15,17H,3,10-14,16H2,1-2H3,(H,21,26)(H,22,25)/b15-9+/t17-/m0/s1
InChIKeyCKYWQAKBZPMHCR-FVLHSZHDSA-N
MW422.55 g/mol
LogP0.64
Rot. Bonds9

About (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide

(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide (PubChem CID 8689701) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
PubChem CID8689701
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H30N4O4S/c1-3-10-21-20(26)17(2)22-19(25)16-23-11-13-24(14-12-23)29(27,28)15-9-18-7-5-4-6-8-18/h4-9,15,17H,3,10-14,16H2,1-2H3,(H,21,26)(H,22,25)/b15-9+/t17-/m0/s1
InChIKeyCKYWQAKBZPMHCR-FVLHSZHDSA-N
XLogP0.64
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
methyl 4-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]butanoate
CID 8689645
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858
(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8691416
N-(3,5-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2655992
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24556061
(2S)-2-[[2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 25387022
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2685860
N-(2,5-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6214863

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide (CID 8689701) is (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The InChIKey is CKYWQAKBZPMHCR-FVLHSZHDSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-3-10-21-20(26)17(2)22-19(25)16-23-11-13-24(14-12-23)29(27,28)15-9-18-7-5-4-6-8-18/h4-9,15,17H,3,10-14,16H2,1-2H3,(H,21,26)(H,22,25)/b15-9+/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide has a molecular weight of 422.55 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8689701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).