3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C25H26N2O5S — CID 25443222

IUPAC3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O5S/c1-31-24-16-20(12-13-23(24)32-18-19-8-3-2-4-9-19)25(28)26-21-10-7-11-22(17-21)33(29,30)27-14-5-6-15-27/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H,26,28)
InChIKeyCOXMDKBEDPWOKL-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.31
Rot. Bonds8

About 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 25443222) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID25443222
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H26N2O5S/c1-31-24-16-20(12-13-23(24)32-18-19-8-3-2-4-9-19)25(28)26-21-10-7-11-22(17-21)33(29,30)27-14-5-6-15-27/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H,26,28)
InChIKeyCOXMDKBEDPWOKL-UHFFFAOYSA-N
XLogP4.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 26654034
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
2-methoxy-N-(4-phenylmethoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590899
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 25443222) is 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is COXMDKBEDPWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-24-16-20(12-13-23(24)32-18-19-8-3-2-4-9-19)25(28)26-21-10-7-11-22(17-21)33(29,30)27-14-5-6-15-27/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H,26,28).
What are the key properties of 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylmethoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 25443222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).