3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide

C25H33N3O7S — CID 46020834

IUPAC3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
SMILESCOCCNC(=O)C(NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H33N3O7S/c1-33-16-13-26-25(30)23(27-24(29)19-5-4-6-21(17-19)35-3)18-11-14-28(15-12-18)36(31,32)22-9-7-20(34-2)8-10-22/h4-10,17-18,23H,11-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyCJZAEILAHGFKCS-UHFFFAOYSA-N
MW519.62 g/mol
LogP1.67
Rot. Bonds11

About 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide

3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 46020834) has the molecular formula C25H33N3O7S and a molecular weight of 519.62 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID46020834
Molecular FormulaC25H33N3O7S
Molecular Weight519.62 g/mol
Exact Mass519.20
IUPAC Name3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
SMILESCOCCNC(=O)C(NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C25H33N3O7S/c1-33-16-13-26-25(30)23(27-24(29)19-5-4-6-21(17-19)35-3)18-11-14-28(15-12-18)36(31,32)22-9-7-20(34-2)8-10-22/h4-10,17-18,23H,11-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyCJZAEILAHGFKCS-UHFFFAOYSA-N
XLogP1.67
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-(furan-2-ylmethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 98420303
4-methoxy-N-[(1S)-2-(3-methoxypropylamino)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide
CID 93200608
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198154
N-[2-(butan-2-ylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 46020818
3-methoxy-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-(propylamino)ethyl]benzamide
CID 42840353
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 42847712
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019486
3-methoxy-N-[(1R)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198280
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198988
3-methoxy-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198291
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020533
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 46019487

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide (CID 46020834) is 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide is COCCNC(=O)C(NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is CJZAEILAHGFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O7S/c1-33-16-13-26-25(30)23(27-24(29)19-5-4-6-21(17-19)35-3)18-11-14-28(15-12-18)36(31,32)22-9-7-20(34-2)8-10-22/h4-10,17-18,23H,11-16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide?
3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 519.62 g/mol, XLogP of 1.67, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methoxyethylamino)-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 46020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).