N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide

C18H28N3O4S+ — CID 8902014

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCCC1
InChIInChI=1S/C18H27N3O4S/c1-25-17-8-7-15(26(23,24)21-11-3-2-4-12-21)13-16(17)19-18(22)14-20-9-5-6-10-20/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1
InChIKeyLRJNOXPYGQJQMH-UHFFFAOYSA-O
MW382.51 g/mol
LogP0.49
Rot. Bonds6

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide (PubChem CID 8902014) has the molecular formula C18H28N3O4S+ and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
PubChem CID8902014
Molecular FormulaC18H28N3O4S+
Molecular Weight382.51 g/mol
Exact Mass382.18
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCCC1
InChIInChI=1S/C18H27N3O4S/c1-25-17-8-7-15(26(23,24)21-11-3-2-4-12-21)13-16(17)19-18(22)14-20-9-5-6-10-20/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1
InChIKeyLRJNOXPYGQJQMH-UHFFFAOYSA-O
XLogP0.49
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
N-(5-chloro-2-methoxyphenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2656153
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24636057

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide (CID 8902014) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH+]1CCCC1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
The InChIKey is LRJNOXPYGQJQMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O4S/c1-25-17-8-7-15(26(23,24)21-11-3-2-4-12-21)13-16(17)19-18(22)14-20-9-5-6-10-20/h7-8,13H,2-6,9-12,14H2,1H3,(H,19,22)/p+1.
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide has a molecular weight of 382.51 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide is sourced from PubChem (CID 8902014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).