(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C25H34N4O4S — CID 41093278

IUPAC(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C25H34N4O4S/c1-20(27-16-18-28(19-17-27)23-8-4-5-9-24(23)33-2)25(30)26-21-10-12-22(13-11-21)34(31,32)29-14-6-3-7-15-29/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,26,30)/t20-/m0/s1
InChIKeyAEWJTMQCQQZQHI-FQEVSTJZSA-N
MW486.64 g/mol
LogP3.02
Rot. Bonds7

About (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 41093278) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID41093278
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C25H34N4O4S/c1-20(27-16-18-28(19-17-27)23-8-4-5-9-24(23)33-2)25(30)26-21-10-12-22(13-11-21)34(31,32)29-14-6-3-7-15-29/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,26,30)/t20-/m0/s1
InChIKeyAEWJTMQCQQZQHI-FQEVSTJZSA-N
XLogP3.02
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide 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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321166
[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 25161608
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 41093278) is (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is AEWJTMQCQQZQHI-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-20(27-16-18-28(19-17-27)23-8-4-5-9-24(23)33-2)25(30)26-21-10-12-22(13-11-21)34(31,32)29-14-6-3-7-15-29/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,26,30)/t20-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 486.64 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 41093278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).