N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide

C18H28N3O5S+ — CID 8018316

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O5S/c1-25-16-6-5-15(19-18(22)14-20-9-11-26-12-10-20)13-17(16)27(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)/p+1
InChIKeyBSZDXJYMFKWDMH-UHFFFAOYSA-O
MW398.51 g/mol
LogP-0.28
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 8018316) has the molecular formula C18H28N3O5S+ and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID8018316
Molecular FormulaC18H28N3O5S+
Molecular Weight398.51 g/mol
Exact Mass398.17
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O5S/c1-25-16-6-5-15(19-18(22)14-20-9-11-26-12-10-20)13-17(16)27(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)/p+1
InChIKeyBSZDXJYMFKWDMH-UHFFFAOYSA-O
XLogP-0.28
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583478
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide (CID 8018316) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide is COc1ccc(NC(=O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is BSZDXJYMFKWDMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O5S/c1-25-16-6-5-15(19-18(22)14-20-9-11-26-12-10-20)13-17(16)27(23,24)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,19,22)/p+1.
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 398.51 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 8018316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).