5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide

C18H28N2O4S — CID 60621896

IUPAC5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
SMILESCOCCCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O4S/c1-24-13-6-3-10-18(21)19-15-16-8-7-9-17(14-16)25(22,23)20-11-4-2-5-12-20/h7-9,14H,2-6,10-13,15H2,1H3,(H,19,21)
InChIKeyIKDYBVHGDXVGLR-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.29
Rot. Bonds9

About 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide

5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide (PubChem CID 60621896) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
PubChem CID60621896
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
SMILESCOCCCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O4S/c1-24-13-6-3-10-18(21)19-15-16-8-7-9-17(14-16)25(22,23)20-11-4-2-5-12-20/h7-9,14H,2-6,10-13,15H2,1H3,(H,19,21)
InChIKeyIKDYBVHGDXVGLR-UHFFFAOYSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 119312860
4-(3-bromophenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 51132965
cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 70680204
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46278542
N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55595326
1-(2-ethoxyethyl)-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 111896985
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545042
7-amino-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]heptanamide;hydrochloride
CID 119690920
1-butyl-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111151667

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide?
The IUPAC name of 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide (CID 60621896) is 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide?
The canonical SMILES for 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide is COCCCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide?
The InChIKey is IKDYBVHGDXVGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-24-13-6-3-10-18(21)19-15-16-8-7-9-17(14-16)25(22,23)20-11-4-2-5-12-20/h7-9,14H,2-6,10-13,15H2,1H3,(H,19,21).
What are the key properties of 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide?
5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide has a molecular weight of 368.50 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide is sourced from PubChem (CID 60621896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).