3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

C20H25NO4S — CID 100592426

IUPAC3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO4S/c1-4-19(16-8-12-18(13-9-16)26(3,23)24)21-20(22)14-7-15-5-10-17(25-2)11-6-15/h5-6,8-13,19H,4,7,14H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyGWQDCIWSVZCGMZ-IBGZPJMESA-N
MW375.49 g/mol
LogP3.30
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide

3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (PubChem CID 100592426) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
PubChem CID100592426
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO4S/c1-4-19(16-8-12-18(13-9-16)26(3,23)24)21-20(22)14-7-15-5-10-17(25-2)11-6-15/h5-6,8-13,19H,4,7,14H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyGWQDCIWSVZCGMZ-IBGZPJMESA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51187566
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133158339
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100603883
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
N-[1-(4-bromophenyl)propyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 18110876
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide (CID 100592426) is 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
The InChIKey is GWQDCIWSVZCGMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO4S/c1-4-19(16-8-12-18(13-9-16)26(3,23)24)21-20(22)14-7-15-5-10-17(25-2)11-6-15/h5-6,8-13,19H,4,7,14H2,1-3H3,(H,21,22)/t19-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide?
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide is sourced from PubChem (CID 100592426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).