2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide

C26H35N3O5S — CID 46108750

IUPAC2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H35N3O5S/c1-3-16-28(35(32,33)24-12-8-5-9-13-24)20-25(30)29(19-22-10-6-4-7-11-22)23-14-17-27(18-15-23)26(31)21-34-2/h4-13,23H,3,14-21H2,1-2H3
InChIKeyDCXFXGZJVLFJIM-UHFFFAOYSA-N
MW501.65 g/mol
LogP2.75
Rot. Bonds11

About 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide

2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide (PubChem CID 46108750) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
PubChem CID46108750
Molecular FormulaC26H35N3O5S
Molecular Weight501.65 g/mol
Exact Mass501.23
IUPAC Name2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
SMILESCCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H35N3O5S/c1-3-16-28(35(32,33)24-12-8-5-9-13-24)20-25(30)29(19-22-10-6-4-7-11-22)23-14-17-27(18-15-23)26(31)21-34-2/h4-13,23H,3,14-21H2,1-2H3
InChIKeyDCXFXGZJVLFJIM-UHFFFAOYSA-N
XLogP2.75
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.65
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide (CID 46108750) is 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide is CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
The InChIKey is DCXFXGZJVLFJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c1-3-16-28(35(32,33)24-12-8-5-9-13-24)20-25(30)29(19-22-10-6-4-7-11-22)23-14-17-27(18-15-23)26(31)21-34-2/h4-13,23H,3,14-21H2,1-2H3.
What are the key properties of 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide has a molecular weight of 501.65 g/mol, XLogP of 2.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46108750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).