2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide

C26H31N3O3S — CID 17491785

IUPAC2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C26H31N3O3S/c30-26(27-15-6-18-29-16-4-1-5-17-29)19-21-9-12-24(13-10-21)28-33(31,32)25-14-11-22-7-2-3-8-23(22)20-25/h2-3,7-14,20,28H,1,4-6,15-19H2,(H,27,30)
InChIKeyBKBNVPUNNZAOJS-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.18
Rot. Bonds9

About 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide

2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 17491785) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID17491785
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C26H31N3O3S/c30-26(27-15-6-18-29-16-4-1-5-17-29)19-21-9-12-24(13-10-21)28-33(31,32)25-14-11-22-7-2-3-8-23(22)20-25/h2-3,7-14,20,28H,1,4-6,15-19H2,(H,27,30)
InChIKeyBKBNVPUNNZAOJS-UHFFFAOYSA-N
XLogP4.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
CID 71008233
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 18774828
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
CID 11166043
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
N-[2-oxo-3-(2-piperidin-1-ylethyl)-1,3-benzothiazol-6-yl]naphthalene-2-sulfonamide
CID 118732429
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide (CID 17491785) is 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide is O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCCCN1CCCCC1.
What is the InChIKey of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is BKBNVPUNNZAOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c30-26(27-15-6-18-29-16-4-1-5-17-29)19-21-9-12-24(13-10-21)28-33(31,32)25-14-11-22-7-2-3-8-23(22)20-25/h2-3,7-14,20,28H,1,4-6,15-19H2,(H,27,30).
What are the key properties of 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 465.62 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 17491785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).