3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide

C33H36N4O4S — CID 68932666

IUPAC3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1)NC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C33H36N4O4S/c38-33(35-30-14-18-41-32-19-24(10-13-29(30)32)23-37-16-4-1-5-17-37)21-31(27-9-6-15-34-22-27)36-42(39,40)28-12-11-25-7-2-3-8-26(25)20-28/h2-3,6-13,15,19-20,22,30-31,36H,1,4-5,14,16-18,21,23H2,(H,35,38)
InChIKeyUQMZFWOPINFZMF-UHFFFAOYSA-N
MW584.74 g/mol
LogP5.27
Rot. Bonds9

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

3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide (PubChem CID 68932666) has the molecular formula C33H36N4O4S and a molecular weight of 584.74 g/mol. Its IUPAC name is 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide
PubChem CID68932666
Molecular FormulaC33H36N4O4S
Molecular Weight584.74 g/mol
Exact Mass584.25
IUPAC Name3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1)NC1CCOc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C33H36N4O4S/c38-33(35-30-14-18-41-32-19-24(10-13-29(30)32)23-37-16-4-1-5-17-37)21-31(27-9-6-15-34-22-27)36-42(39,40)28-12-11-25-7-2-3-8-26(25)20-28/h2-3,6-13,15,19-20,22,30-31,36H,1,4-5,14,16-18,21,23H2,(H,35,38)
InChIKeyUQMZFWOPINFZMF-UHFFFAOYSA-N
XLogP5.27
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.74
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide (CID 68932666) is 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide is O=C(CC(NS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1)NC1CCOc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is UQMZFWOPINFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4S/c38-33(35-30-14-18-41-32-19-24(10-13-29(30)32)23-37-16-4-1-5-17-37)21-31(27-9-6-15-34-22-27)36-42(39,40)28-12-11-25-7-2-3-8-26(25)20-28/h2-3,6-13,15,19-20,22,30-31,36H,1,4-5,14,16-18,21,23H2,(H,35,38).
What are the key properties of 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide?
3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 584.74 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 68932666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).