2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide

C19H23NO4S — CID 51174507

IUPAC2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C19H23NO4S/c1-14(16-7-5-4-6-8-16)13-20-19(21)15(2)24-17-9-11-18(12-10-17)25(3,22)23/h4-12,14-15H,13H2,1-3H3,(H,20,21)
InChIKeyCSYNIKOXBMMSNP-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide

2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide (PubChem CID 51174507) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
PubChem CID51174507
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C19H23NO4S/c1-14(16-7-5-4-6-8-16)13-20-19(21)15(2)24-17-9-11-18(12-10-17)25(3,22)23/h4-12,14-15H,13H2,1-3H3,(H,20,21)
InChIKeyCSYNIKOXBMMSNP-UHFFFAOYSA-N
XLogP2.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
2-(4-methylsulfonylphenoxy)-N-(1-phenylbutyl)propanamide
CID 51184920
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
N-(2-amino-2-phenylethyl)-2-(4-methylphenoxy)propanamide
CID 119528615
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51236628
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide (CID 51174507) is 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide is CC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide?
The InChIKey is CSYNIKOXBMMSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14(16-7-5-4-6-8-16)13-20-19(21)15(2)24-17-9-11-18(12-10-17)25(3,22)23/h4-12,14-15H,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide?
2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide has a molecular weight of 361.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 51174507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).