2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide

C20H25NO4S — CID 51184920

IUPAC2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H25NO4S/c1-4-8-19(16-9-6-5-7-10-16)21-20(22)15(2)25-17-11-13-18(14-12-17)26(3,23)24/h5-7,9-15,19H,4,8H2,1-3H3,(H,21,22)
InChIKeySBXMERZTJPAHGE-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.52
Rot. Bonds8

About 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide

2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide (PubChem CID 51184920) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide
PubChem CID51184920
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H25NO4S/c1-4-8-19(16-9-6-5-7-10-16)21-20(22)15(2)25-17-11-13-18(14-12-17)26(3,23)24/h5-7,9-15,19H,4,8H2,1-3H3,(H,21,22)
InChIKeySBXMERZTJPAHGE-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51174507
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487270
4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
CID 119201282
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
(2S)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100588926
N-[1-(4-methylsulfonylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133202798
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide (CID 51184920) is 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)Oc1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide?
The InChIKey is SBXMERZTJPAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-4-8-19(16-9-6-5-7-10-16)21-20(22)15(2)25-17-11-13-18(14-12-17)26(3,23)24/h5-7,9-15,19H,4,8H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide?
2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide has a molecular weight of 375.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 51184920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).