(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C24H30N2O6S — CID 6218321

IUPAC(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCOc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C24H30N2O6S/c1-4-32-22-11-7-20(17-23(22)30-3)18-25(2)24(27)12-8-19-5-9-21(10-6-19)33(28,29)26-13-15-31-16-14-26/h5-12,17H,4,13-16,18H2,1-3H3/b12-8+
InChIKeyNCYDKZMVKQRROL-XYOKQWHBSA-N
MW474.58 g/mol
LogP2.79
Rot. Bonds9

About (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 6218321) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID6218321
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCOc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C24H30N2O6S/c1-4-32-22-11-7-20(17-23(22)30-3)18-25(2)24(27)12-8-19-5-9-21(10-6-19)33(28,29)26-13-15-31-16-14-26/h5-12,17H,4,13-16,18H2,1-3H3/b12-8+
InChIKeyNCYDKZMVKQRROL-XYOKQWHBSA-N
XLogP2.79
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 46591934
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 8960830
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-(3-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 2450532
(E)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26994510
4-[[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966743
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 26848715
ethyl 2-[2-methoxyethyl-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]acetate
CID 55725920
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-enamide
CID 43010546
2-(3,4-dimethoxyphenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 34235023
[2-[butyl(methyl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 9340017

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 6218321) is (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC.
What is the InChIKey of (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is NCYDKZMVKQRROL-XYOKQWHBSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-4-32-22-11-7-20(17-23(22)30-3)18-25(2)24(27)12-8-19-5-9-21(10-6-19)33(28,29)26-13-15-31-16-14-26/h5-12,17H,4,13-16,18H2,1-3H3/b12-8+.
What are the key properties of (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 474.58 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 6218321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).