N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide

C25H27N3O5S — CID 39300329

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H27N3O5S/c1-32-23-12-9-21(16-24(23)34(30,31)28-14-3-2-4-15-28)27-25(29)20-7-10-22(11-8-20)33-18-19-6-5-13-26-17-19/h5-13,16-17H,2-4,14-15,18H2,1H3,(H,27,29)
InChIKeyGPOHMIMFMZLCHZ-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.10
Rot. Bonds8

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39300329) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39300329
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H27N3O5S/c1-32-23-12-9-21(16-24(23)34(30,31)28-14-3-2-4-15-28)27-25(29)20-7-10-22(11-8-20)33-18-19-6-5-13-26-17-19/h5-13,16-17H,2-4,14-15,18H2,1H3,(H,27,29)
InChIKeyGPOHMIMFMZLCHZ-UHFFFAOYSA-N
XLogP4.10
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46469585
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 43069792
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 8890703
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43069830
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 39300329) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide is COc1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is GPOHMIMFMZLCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-32-23-12-9-21(16-24(23)34(30,31)28-14-3-2-4-15-28)27-25(29)20-7-10-22(11-8-20)33-18-19-6-5-13-26-17-19/h5-13,16-17H,2-4,14-15,18H2,1H3,(H,27,29).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39300329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).