4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H26N2O5S — CID 24681357

IUPAC4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H26N2O5S/c1-18-9-12-20(13-10-18)32-22-8-4-3-7-21(22)26-25(28)19-11-14-23(31-2)24(17-19)33(29,30)27-15-5-6-16-27/h3-4,7-14,17H,5-6,15-16H2,1-2H3,(H,26,28)
InChIKeyGIMALDRFEZGMHO-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.83
Rot. Bonds7

About 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 24681357) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID24681357
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C25H26N2O5S/c1-18-9-12-20(13-10-18)32-22-8-4-3-7-21(22)26-25(28)19-11-14-23(31-2)24(17-19)33(29,30)27-15-5-6-16-27/h3-4,7-14,17H,5-6,15-16H2,1-2H3,(H,26,28)
InChIKeyGIMALDRFEZGMHO-UHFFFAOYSA-N
XLogP4.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 27298305
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
4-methoxy-N-(2-phenylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26727465
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55985107
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38749018
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 24681357) is 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GIMALDRFEZGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-18-9-12-20(13-10-18)32-22-8-4-3-7-21(22)26-25(28)19-11-14-23(31-2)24(17-19)33(29,30)27-15-5-6-16-27/h3-4,7-14,17H,5-6,15-16H2,1-2H3,(H,26,28).
What are the key properties of 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 466.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24681357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).