4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H27N3O5S — CID 46469585

IUPAC4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H27N3O5S/c1-32-23-11-8-21(15-24(23)34(30,31)28-13-2-3-14-28)25(29)27-17-19-6-9-22(10-7-19)33-18-20-5-4-12-26-16-20/h4-12,15-16H,2-3,13-14,17-18H2,1H3,(H,27,29)
InChIKeyXWGSTZJYSRSLGL-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.38
Rot. Bonds9

About 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 46469585) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID46469585
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H27N3O5S/c1-32-23-11-8-21(15-24(23)34(30,31)28-13-2-3-14-28)25(29)27-17-19-6-9-22(10-7-19)33-18-20-5-4-12-26-16-20/h4-12,15-16H,2-3,13-14,17-18H2,1H3,(H,27,29)
InChIKeyXWGSTZJYSRSLGL-UHFFFAOYSA-N
XLogP3.38
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39300329
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261543
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
13-oxo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 55720389
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392756
(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392758

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 46469585) is 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XWGSTZJYSRSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-32-23-11-8-21(15-24(23)34(30,31)28-13-2-3-14-28)25(29)27-17-19-6-9-22(10-7-19)33-18-20-5-4-12-26-16-20/h4-12,15-16H,2-3,13-14,17-18H2,1H3,(H,27,29).
What are the key properties of 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 481.57 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46469585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).