(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide

C20H32N4O4S — CID 8691416

IUPAC(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H32N4O4S/c1-5-8-21-20(26)17(4)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-7-6-15(2)16(3)13-18/h6-7,13,17H,5,8-12,14H2,1-4H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyYGMCQMDBAJCRGJ-KRWDZBQOSA-N
MW424.57 g/mol
LogP0.64
Rot. Bonds8

About (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide

(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide (PubChem CID 8691416) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
PubChem CID8691416
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H32N4O4S/c1-5-8-21-20(26)17(4)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-7-6-15(2)16(3)13-18/h6-7,13,17H,5,8-12,14H2,1-4H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyYGMCQMDBAJCRGJ-KRWDZBQOSA-N
XLogP0.64
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-[4-(3,4-dimethylphenyl)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

(2S)-2-[[2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 25387022
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8758053
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8758014
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30171977
N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
(2S)-2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8689701
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733751
(2R)-2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide
CID 8692700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide (CID 8691416) is (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
The InChIKey is YGMCQMDBAJCRGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-5-8-21-20(26)17(4)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-7-6-15(2)16(3)13-18/h6-7,13,17H,5,8-12,14H2,1-4H3,(H,21,26)(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide?
(2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide has a molecular weight of 424.57 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 8691416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).