2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide

C15H22N2O4S — CID 133167568

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(CC)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-5-11-16-15(18)14(6-2)21-13-9-7-12(8-10-13)17(3)22(4,19)20/h5,7-10,14H,1,6,11H2,2-4H3,(H,16,18)
InChIKeyPPYKKAOAEJHJAR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.54
Rot. Bonds8

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide (PubChem CID 133167568) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide
PubChem CID133167568
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(CC)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-5-11-16-15(18)14(6-2)21-13-9-7-12(8-10-13)17(3)22(4,19)20/h5,7-10,14H,1,6,11H2,2-4H3,(H,16,18)
InChIKeyPPYKKAOAEJHJAR-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-prop-2-enoxyphenyl)butanamide
CID 100720771
N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210421
N-[3-(N-methylanilino)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133162969
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100651688
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 133210687
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoic acid
CID 95795032
N-(4-ethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160487
N-[3-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187198
4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100769036
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133185613
(2S)-N-[(2,5-diethylphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100528695

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide (CID 133167568) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide is C=CCNC(=O)C(CC)Oc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide?
The InChIKey is PPYKKAOAEJHJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-11-16-15(18)14(6-2)21-13-9-7-12(8-10-13)17(3)22(4,19)20/h5,7-10,14H,1,6,11H2,2-4H3,(H,16,18).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide has a molecular weight of 326.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide is sourced from PubChem (CID 133167568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).