3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

C15H22N2O4S — CID 113144928

IUPAC3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-5-9-16-15(18)8-10-17(22(4,19)20)13-11-12(2)6-7-14(13)21-3/h5-7,11H,1,8-10H2,2-4H3,(H,16,18)
InChIKeyLTTQVOHXPRZLOR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.46
Rot. Bonds8

About 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (PubChem CID 113144928) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
PubChem CID113144928
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-5-9-16-15(18)8-10-17(22(4,19)20)13-11-12(2)6-7-14(13)21-3/h5-7,11H,1,8-10H2,2-4H3,(H,16,18)
InChIKeyLTTQVOHXPRZLOR-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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

N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144974
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113144970
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 29435894
methyl 3-[methylsulfonyl-[3-oxo-3-(prop-2-enylamino)propyl]amino]benzoate
CID 113145588
N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2283290
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 3969796
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (CID 113144928) is 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(c1cc(C)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The InChIKey is LTTQVOHXPRZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-9-16-15(18)8-10-17(22(4,19)20)13-11-12(2)6-7-14(13)21-3/h5-7,11H,1,8-10H2,2-4H3,(H,16,18).
What are the key properties of 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 113144928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).