(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide

C21H23NO7S — CID 67287109

IUPAC(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide
SMILESC=C(c1c(OC)cccc1OC)S(=O)(=O)NC(=O)/C=C\c1c(OC)cccc1OC
InChIInChI=1S/C21H23NO7S/c1-14(21-18(28-4)10-7-11-19(21)29-5)30(24,25)22-20(23)13-12-15-16(26-2)8-6-9-17(15)27-3/h6-13H,1H2,2-5H3,(H,22,23)/b13-12-
InChIKeyZMCMHQWAOCQCJP-SEYXRHQNSA-N
MW433.48 g/mol
LogP2.85
Rot. Bonds9

About (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide

(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide (PubChem CID 67287109) has the molecular formula C21H23NO7S and a molecular weight of 433.48 g/mol. Its IUPAC name is (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide
PubChem CID67287109
Molecular FormulaC21H23NO7S
Molecular Weight433.48 g/mol
Exact Mass433.12
IUPAC Name(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide
SMILESC=C(c1c(OC)cccc1OC)S(=O)(=O)NC(=O)/C=C\c1c(OC)cccc1OC
InChIInChI=1S/C21H23NO7S/c1-14(21-18(28-4)10-7-11-19(21)29-5)30(24,25)22-20(23)13-12-15-16(26-2)8-6-9-17(15)27-3/h6-13H,1H2,2-5H3,(H,22,23)/b13-12-
InChIKeyZMCMHQWAOCQCJP-SEYXRHQNSA-N
XLogP2.85
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 963632
methyl (E)-3-(2-chloro-6-methoxyphenyl)prop-2-enoate
CID 13045462
3-(2,6-dimethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 963710
(E)-3-(2,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 16754161
(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
CID 28560857
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
4-(2,6-dimethoxyphenyl)-N-[2-(2,6-dimethoxyphenyl)ethenyl]-2-oxobut-3-ene-1-sulfonamide
CID 69486170
3-(2,6-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 963630
(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906876
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide?
The IUPAC name of (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide (CID 67287109) is (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide is C=C(c1c(OC)cccc1OC)S(=O)(=O)NC(=O)/C=C\c1c(OC)cccc1OC.
What is the InChIKey of (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide?
The InChIKey is ZMCMHQWAOCQCJP-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H23NO7S/c1-14(21-18(28-4)10-7-11-19(21)29-5)30(24,25)22-20(23)13-12-15-16(26-2)8-6-9-17(15)27-3/h6-13H,1H2,2-5H3,(H,22,23)/b13-12-.
What are the key properties of (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide?
(Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide has a molecular weight of 433.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,6-dimethoxyphenyl)-N-[1-(2,6-dimethoxyphenyl)ethenylsulfonyl]prop-2-enamide is sourced from PubChem (CID 67287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).