N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide

C20H32N3O4S+ — CID 8583478

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H31N3O4S/c1-16-8-4-7-11-22(16)15-20(24)21-17-9-10-18(27-2)19(14-17)28(25,26)23-12-5-3-6-13-23/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1
InChIKeyGUQROJUTCZORSM-INIZCTEOSA-O
MW410.56 g/mol
LogP1.27
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8583478) has the molecular formula C20H32N3O4S+ and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8583478
Molecular FormulaC20H32N3O4S+
Molecular Weight410.56 g/mol
Exact Mass410.21
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H31N3O4S/c1-16-8-4-7-11-22(16)15-20(24)21-17-9-10-18(27-2)19(14-17)28(25,26)23-12-5-3-6-13-23/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1
InChIKeyGUQROJUTCZORSM-INIZCTEOSA-O
XLogP1.27
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide with MolForge

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8018316
cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
CID 8875638
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903716
2-[[(1R,2S)-2-hydroxycyclopentyl]-methylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 96533708
2-(3,5-dimethylpiperidin-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 42999312
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 8583454
2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5024016
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8583478) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is COc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is GUQROJUTCZORSM-INIZCTEOSA-O. The full InChI is InChI=1S/C20H31N3O4S/c1-16-8-4-7-11-22(16)15-20(24)21-17-9-10-18(27-2)19(14-17)28(25,26)23-12-5-3-6-13-23/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1.
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8583478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).