4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C25H26N2O5S — CID 18892205

IUPAC4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H26N2O5S/c1-31-23-15-10-19(18-24(23)33(29,30)27-16-6-3-7-17-27)25(28)26-20-11-13-22(14-12-20)32-21-8-4-2-5-9-21/h2,4-5,8-15,18H,3,6-7,16-17H2,1H3,(H,26,28)
InChIKeyMRQXJIBLGSDBPY-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.91
Rot. Bonds7

About 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18892205) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18892205
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H26N2O5S/c1-31-23-15-10-19(18-24(23)33(29,30)27-16-6-3-7-17-27)25(28)26-20-11-13-22(14-12-20)32-21-8-4-2-5-9-21/h2,4-5,8-15,18H,3,6-7,16-17H2,1H3,(H,26,28)
InChIKeyMRQXJIBLGSDBPY-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
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
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 18892205) is 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MRQXJIBLGSDBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-23-15-10-19(18-24(23)33(29,30)27-16-6-3-7-17-27)25(28)26-20-11-13-22(14-12-20)32-21-8-4-2-5-9-21/h2,4-5,8-15,18H,3,6-7,16-17H2,1H3,(H,26,28).
What are the key properties of 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 466.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18892205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).