3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide

C18H21NO4S — CID 110784513

IUPAC3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-23-16-8-3-14(4-9-16)7-12-18(20)19-13-15-5-10-17(11-6-15)24(2,21)22/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyAETJGRXCAMSWEA-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.35
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide (PubChem CID 110784513) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
PubChem CID110784513
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-23-16-8-3-14(4-9-16)7-12-18(20)19-13-15-5-10-17(11-6-15)24(2,21)22/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyAETJGRXCAMSWEA-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
N-[(4-methylsulfonylphenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 60511799
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111169818
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111169817
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide (CID 110784513) is 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The InChIKey is AETJGRXCAMSWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-23-16-8-3-14(4-9-16)7-12-18(20)19-13-15-5-10-17(11-6-15)24(2,21)22/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 110784513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).