3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide

C24H25NO5S — CID 55433266

IUPAC3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO5S/c1-17(19-9-12-21(13-10-19)31(3,27)28)25-24(26)20-11-14-22(23(15-20)29-2)30-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,26)
InChIKeyLFFGAAREWGEWFX-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.17
Rot. Bonds8

About 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide

3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide (PubChem CID 55433266) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
PubChem CID55433266
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO5S/c1-17(19-9-12-21(13-10-19)31(3,27)28)25-24(26)20-11-14-22(23(15-20)29-2)30-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,26)
InChIKeyLFFGAAREWGEWFX-UHFFFAOYSA-N
XLogP4.17
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide (CID 55433266) is 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide is COc1cc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide?
The InChIKey is LFFGAAREWGEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-17(19-9-12-21(13-10-19)31(3,27)28)25-24(26)20-11-14-22(23(15-20)29-2)30-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,26).
What are the key properties of 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide?
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide has a molecular weight of 439.53 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 55433266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).