ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate

C20H23NO6S — CID 134934643

IUPACethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
SMILESCCOC(=O)/C(=C\NS(=O)(=O)c1ccc(C)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H23NO6S/c1-5-27-20(22)19(15-10-16(25-3)12-17(11-15)26-4)13-21-28(23,24)18-8-6-14(2)7-9-18/h6-13,21H,5H2,1-4H3/b19-13-
InChIKeyQRPNACJBADYTIS-UYRXBGFRSA-N
MW405.47 g/mol
LogP2.89
Rot. Bonds8

About ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate

ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate (PubChem CID 134934643) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
PubChem CID134934643
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Nameethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
SMILESCCOC(=O)/C(=C\NS(=O)(=O)c1ccc(C)cc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H23NO6S/c1-5-27-20(22)19(15-10-16(25-3)12-17(11-15)26-4)13-21-28(23,24)18-8-6-14(2)7-9-18/h6-13,21H,5H2,1-4H3/b19-13-
InChIKeyQRPNACJBADYTIS-UYRXBGFRSA-N
XLogP2.89
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
CID 122398695
N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 122398699
ethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 71440543
N'-[(Z)-1-(3,5-dimethoxyphenyl)-3-(dimethylamino)prop-1-enyl]-4-methylbenzenesulfonohydrazide
CID 123344533
ethyl (Z)-2-cyano-3-[(4-methylphenyl)sulfonylamino]-3-phenylprop-2-enoate
CID 110191958
ethyl (E)-3-[(4-methylphenyl)sulfonylamino]-2-phenylbut-2-enoate
CID 101155557
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-(3,5-dimethoxyphenyl)sulfonyl-2-(4-methylphenyl)acetamide
CID 166234668
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 12034641
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The IUPAC name of ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate (CID 134934643) is ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate is CCOC(=O)/C(=C\NS(=O)(=O)c1ccc(C)cc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
The InChIKey is QRPNACJBADYTIS-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-5-27-20(22)19(15-10-16(25-3)12-17(11-15)26-4)13-21-28(23,24)18-8-6-14(2)7-9-18/h6-13,21H,5H2,1-4H3/b19-13-.
What are the key properties of ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate?
ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate has a molecular weight of 405.47 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate is sourced from PubChem (CID 134934643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).