3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide

C21H27NO4S — CID 133158339

IUPAC3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H27NO4S/c1-5-19(17-8-10-18(11-9-17)27(4,24)25)22-21(23)13-7-16-6-12-20(26-3)15(2)14-16/h6,8-12,14,19H,5,7,13H2,1-4H3,(H,22,23)
InChIKeyIHUCWFYOIZVKSR-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.61
Rot. Bonds8

About 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide

3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide (PubChem CID 133158339) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
PubChem CID133158339
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H27NO4S/c1-5-19(17-8-10-18(11-9-17)27(4,24)25)22-21(23)13-7-16-6-12-20(26-3)15(2)14-16/h6,8-12,14,19H,5,7,13H2,1-4H3,(H,22,23)
InChIKeyIHUCWFYOIZVKSR-UHFFFAOYSA-N
XLogP3.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426
2-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133200186
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 133210929
2-(4-methoxy-3-methylphenyl)-N-(1-phenylpropyl)acetamide
CID 133210916
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900
2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide (CID 133158339) is 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide is CCC(NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
The InChIKey is IHUCWFYOIZVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-5-19(17-8-10-18(11-9-17)27(4,24)25)22-21(23)13-7-16-6-12-20(26-3)15(2)14-16/h6,8-12,14,19H,5,7,13H2,1-4H3,(H,22,23).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide?
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide is sourced from PubChem (CID 133158339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).