naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide

C34H37N3O4S — CID 87627362

IUPACnaphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide
SMILESO=C(CC(N=S(=O)=O)c1ccccc1)NC1CCOc2c(CN3CCCCC3)cccc21.c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O4S.C10H8/c28-23(16-22(26-32(29)30)18-8-3-1-4-9-18)25-21-12-15-31-24-19(10-7-11-20(21)24)17-27-13-5-2-6-14-27;1-2-6-10-8-4-3-7-9(10)5-1/h1,3-4,7-11,21-22H,2,5-6,12-17H2,(H,25,28);1-8H
InChIKeyZRZZRZHTHPYTHA-UHFFFAOYSA-N
MW583.75 g/mol
LogP6.65
Rot. Bonds7

About naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide

naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide (PubChem CID 87627362) has the molecular formula C34H37N3O4S and a molecular weight of 583.75 g/mol. Its IUPAC name is naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide.

Molecular Properties

Compound Namenaphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide
PubChem CID87627362
Molecular FormulaC34H37N3O4S
Molecular Weight583.75 g/mol
Exact Mass583.25
IUPAC Namenaphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide
SMILESO=C(CC(N=S(=O)=O)c1ccccc1)NC1CCOc2c(CN3CCCCC3)cccc21.c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O4S.C10H8/c28-23(16-22(26-32(29)30)18-8-3-1-4-9-18)25-21-12-15-31-24-19(10-7-11-20(21)24)17-27-13-5-2-6-14-27;1-2-6-10-8-4-3-7-9(10)5-1/h1,3-4,7-11,21-22H,2,5-6,12-17H2,(H,25,28);1-8H
InChIKeyZRZZRZHTHPYTHA-UHFFFAOYSA-N
XLogP6.65
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.75
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide?
The IUPAC name of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide (CID 87627362) is naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide.
What is the SMILES notation for naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide?
The canonical SMILES for naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide is O=C(CC(N=S(=O)=O)c1ccccc1)NC1CCOc2c(CN3CCCCC3)cccc21.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide?
The InChIKey is ZRZZRZHTHPYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S.C10H8/c28-23(16-22(26-32(29)30)18-8-3-1-4-9-18)25-21-12-15-31-24-19(10-7-11-20(21)24)17-27-13-5-2-6-14-27;1-2-6-10-8-4-3-7-9(10)5-1/h1,3-4,7-11,21-22H,2,5-6,12-17H2,(H,25,28);1-8H.
What are the key properties of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide?
naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide has a molecular weight of 583.75 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide is sourced from PubChem (CID 87627362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).