2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

C32H39N3O4S — CID 18448518

IUPAC2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1)NC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C32H39N3O4S/c36-32(33-30-15-19-39-31-20-24(11-14-29(30)31)23-34-16-5-1-6-17-34)22-27-10-4-7-18-35(27)40(37,38)28-13-12-25-8-2-3-9-26(25)21-28/h2-3,8-9,11-14,20-21,27,30H,1,4-7,10,15-19,22-23H2,(H,33,36)
InChIKeyPQKRMLRQADTGFD-UHFFFAOYSA-N
MW561.75 g/mol
LogP5.40
Rot. Bonds7

About 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 18448518) has the molecular formula C32H39N3O4S and a molecular weight of 561.75 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID18448518
Molecular FormulaC32H39N3O4S
Molecular Weight561.75 g/mol
Exact Mass561.27
IUPAC Name2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1)NC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C32H39N3O4S/c36-32(33-30-15-19-39-31-20-24(11-14-29(30)31)23-34-16-5-1-6-17-34)22-27-10-4-7-18-35(27)40(37,38)28-13-12-25-8-2-3-9-26(25)21-28/h2-3,8-9,11-14,20-21,27,30H,1,4-7,10,15-19,22-23H2,(H,33,36)
InChIKeyPQKRMLRQADTGFD-UHFFFAOYSA-N
XLogP5.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.75
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 18448518) is 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is O=C(CC1CCCCN1S(=O)(=O)c1ccc2ccccc2c1)NC1CCOc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is PQKRMLRQADTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O4S/c36-32(33-30-15-19-39-31-20-24(11-14-29(30)31)23-34-16-5-1-6-17-34)22-27-10-4-7-18-35(27)40(37,38)28-13-12-25-8-2-3-9-26(25)21-28/h2-3,8-9,11-14,20-21,27,30H,1,4-7,10,15-19,22-23H2,(H,33,36).
What are the key properties of 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide?
2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 561.75 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-ylsulfonylpiperidin-2-yl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 18448518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).