N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide

C26H27N3O4S — CID 142630208

IUPACN-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
SMILESN#Cc1ccc(COCC2CCCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C26H27N3O4S/c27-15-20-7-9-21(10-8-20)18-33-19-22-4-3-13-29(17-22)26(30)16-28-34(31,32)25-12-11-23-5-1-2-6-24(23)14-25/h1-2,5-12,14,22,28H,3-4,13,16-19H2
InChIKeyXVKLFYYBIZQJMW-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.45
Rot. Bonds8

About N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide

N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 142630208) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID142630208
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
SMILESN#Cc1ccc(COCC2CCCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C26H27N3O4S/c27-15-20-7-9-21(10-8-20)18-33-19-22-4-3-13-29(17-22)26(30)16-28-34(31,32)25-12-11-23-5-1-2-6-24(23)14-25/h1-2,5-12,14,22,28H,3-4,13,16-19H2
InChIKeyXVKLFYYBIZQJMW-UHFFFAOYSA-N
XLogP3.45
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 142630198
N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 142630155
4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 142630178
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906463
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]naphthalene-2-sulfonamide
CID 119380130
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide
CID 11037691
1-[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylic acid
CID 67912511
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
CID 9151786
1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide (CID 142630208) is N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide is N#Cc1ccc(COCC2CCCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is XVKLFYYBIZQJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c27-15-20-7-9-21(10-8-20)18-33-19-22-4-3-13-29(17-22)26(30)16-28-34(31,32)25-12-11-23-5-1-2-6-24(23)14-25/h1-2,5-12,14,22,28H,3-4,13,16-19H2.
What are the key properties of N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 477.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 142630208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).