2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

C26H33N3O5S — CID 28591285

IUPAC2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C26H33N3O5S/c1-19-12-16-29(17-13-19)35(32,33)20-10-11-24(34-2)22(18-20)25(30)27-23-9-5-4-8-21(23)26(31)28-14-6-3-7-15-28/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H,27,30)
InChIKeyFPXVASIITYYEHZ-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.99
Rot. Bonds6

About 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 28591285) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID28591285
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C26H33N3O5S/c1-19-12-16-29(17-13-19)35(32,33)20-10-11-24(34-2)22(18-20)25(30)27-23-9-5-4-8-21(23)26(31)28-14-6-3-7-15-28/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H,27,30)
InChIKeyFPXVASIITYYEHZ-UHFFFAOYSA-N
XLogP3.99
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28591252
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 28591225
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
5-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-2-methoxybenzamide
CID 43882697
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
(4-benzylpiperazin-1-yl)-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 28591235
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 28591285) is 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is FPXVASIITYYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-19-12-16-29(17-13-19)35(32,33)20-10-11-24(34-2)22(18-20)25(30)27-23-9-5-4-8-21(23)26(31)28-14-6-3-7-15-28/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3,(H,27,30).
What are the key properties of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 499.63 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 28591285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).