3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide

C19H23NO5S — CID 123164997

IUPAC3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
SMILESCOc1ccc(Oc2c(C)cc(CCC(=O)NS(C)(=O)=O)cc2C)cc1
InChIInChI=1S/C19H23NO5S/c1-13-11-15(5-10-18(21)20-26(4,22)23)12-14(2)19(13)25-17-8-6-16(24-3)7-9-17/h6-9,11-12H,5,10H2,1-4H3,(H,20,21)
InChIKeyCNXDHGXJOUZEOY-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.11
Rot. Bonds7

About 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide

3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide (PubChem CID 123164997) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
PubChem CID123164997
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
SMILESCOc1ccc(Oc2c(C)cc(CCC(=O)NS(C)(=O)=O)cc2C)cc1
InChIInChI=1S/C19H23NO5S/c1-13-11-15(5-10-18(21)20-26(4,22)23)12-14(2)19(13)25-17-8-6-16(24-3)7-9-17/h6-9,11-12H,5,10H2,1-4H3,(H,20,21)
InChIKeyCNXDHGXJOUZEOY-UHFFFAOYSA-N
XLogP3.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1-piperidin-1-ylpropan-1-one
CID 123795982
ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide
CID 144504663
5-[2,6-dimethyl-4-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-oxopropyl]phenoxy]-2-hydroxy-N-phenylbenzamide
CID 144504692
methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate
CID 144504941
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
CID 123574671
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395
1,5-bis[4-(4-methoxyphenyl)sulfonyl-3,5-dimethylphenyl]pentan-3-one
CID 174854090
4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
CID 66767279
ethane;methyl 3-[4-(3-formyl-4-methoxyphenoxy)-3,5-dimethylphenyl]propanoate
CID 144504699
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide (CID 123164997) is 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide is COc1ccc(Oc2c(C)cc(CCC(=O)NS(C)(=O)=O)cc2C)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide?
The InChIKey is CNXDHGXJOUZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13-11-15(5-10-18(21)20-26(4,22)23)12-14(2)19(13)25-17-8-6-16(24-3)7-9-17/h6-9,11-12H,5,10H2,1-4H3,(H,20,21).
What are the key properties of 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide?
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide has a molecular weight of 377.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 123164997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).