3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide

C20H25NO5S — CID 122185433

IUPAC3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide
SMILESCCOC(CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-19(13-20(22)21-27(3,23)24)16-9-11-18(12-10-16)26-14-17-8-6-5-7-15(17)2/h5-12,19H,4,13-14H2,1-3H3,(H,21,22)
InChIKeyLVYRVKSUBHYBIC-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.12
Rot. Bonds9

About 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide

3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide (PubChem CID 122185433) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide
PubChem CID122185433
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide
SMILESCCOC(CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C20H25NO5S/c1-4-25-19(13-20(22)21-27(3,23)24)16-9-11-18(12-10-16)26-14-17-8-6-5-7-15(17)2/h5-12,19H,4,13-14H2,1-3H3,(H,21,22)
InChIKeyLVYRVKSUBHYBIC-UHFFFAOYSA-N
XLogP3.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663386
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(1-phenylethoxy)phenyl]butanamide
CID 91663407
3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]-N-methylsulfonylpropanamide
CID 117612258
3-(3-cyclopentyloxyphenyl)-N-methylsulfonylpropanamide
CID 72024043
N,3-dihydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 72707666
2,2-dimethyl-N-methylsulfonyl-5-[4-[(E)-2-phenylethenyl]phenoxy]pentanamide
CID 156012584
[4-[2-[4-[(2S)-2-ethoxy-3-(methoxyamino)-3-oxopropyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 117845119
N-methylsulfonyl-4-[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
CID 66577897
2-Methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
CID 66577954
N-methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
CID 66577955
4-Methylsulfonyl-4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]butanamide
CID 66577956

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide?
The IUPAC name of 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide (CID 122185433) is 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide is CCOC(CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide?
The InChIKey is LVYRVKSUBHYBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-25-19(13-20(22)21-27(3,23)24)16-9-11-18(12-10-16)26-14-17-8-6-5-7-15(17)2/h5-12,19H,4,13-14H2,1-3H3,(H,21,22).
What are the key properties of 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide?
3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide has a molecular weight of 391.49 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-[4-[(2-methylphenyl)methoxy]phenyl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 122185433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).