(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide

C15H22N2O4S — CID 97456217

IUPAC(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1
InChIInChI=1S/C15H22N2O4S/c1-5-7-11(3)15(18)16-12-8-9-13(14(10-12)21-4)17-22(19,20)6-2/h7-10,17H,5-6H2,1-4H3,(H,16,18)/b11-7+
InChIKeyWWTZAOZFETUDRC-YRNVUSSQSA-N
MW326.42 g/mol
LogP2.75
Rot. Bonds7

About (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide

(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide (PubChem CID 97456217) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
PubChem CID97456217
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1
InChIInChI=1S/C15H22N2O4S/c1-5-7-11(3)15(18)16-12-8-9-13(14(10-12)21-4)17-22(19,20)6-2/h7-10,17H,5-6H2,1-4H3,(H,16,18)/b11-7+
InChIKeyWWTZAOZFETUDRC-YRNVUSSQSA-N
XLogP2.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(3-fluorophenyl)acetamide
CID 55947951
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55955115
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948591
1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea
CID 48761938

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide?
The IUPAC name of (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide (CID 97456217) is (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide is CC/C=C(\C)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1.
What is the InChIKey of (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide?
The InChIKey is WWTZAOZFETUDRC-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-7-11(3)15(18)16-12-8-9-13(14(10-12)21-4)17-22(19,20)6-2/h7-10,17H,5-6H2,1-4H3,(H,16,18)/b11-7+.
What are the key properties of (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide?
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide has a molecular weight of 326.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide is sourced from PubChem (CID 97456217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).