ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate

C20H23NO4S — CID 12034641

IUPACethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(C)cc1)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO4S/c1-4-25-20(22)18(13-17-9-5-15(2)6-10-17)14-21-26(23,24)19-11-7-16(3)8-12-19/h5-13,21H,4,14H2,1-3H3/b18-13-
InChIKeyNMFVPMLZDZZSEM-AQTBWJFISA-N
MW373.47 g/mol
LogP3.23
Rot. Bonds7

About ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate

ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate (PubChem CID 12034641) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
PubChem CID12034641
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Nameethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
SMILESCCOC(=O)/C(=C\c1ccc(C)cc1)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO4S/c1-4-25-20(22)18(13-17-9-5-15(2)6-10-17)14-21-26(23,24)19-11-7-16(3)8-12-19/h5-13,21H,4,14H2,1-3H3/b18-13-
InChIKeyNMFVPMLZDZZSEM-AQTBWJFISA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2,4-dichlorophenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 11293279
methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate
CID 24756036
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
ethyl (E)-2-benzyl-3-(4-methylphenyl)prop-2-enoate
CID 15851794
diethyl 2-[[4-(4-methylphenyl)phenyl]methylidene]propanedioate
CID 139668772
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
ethyl 2-diazo-9-[(4-methylphenyl)sulfonylamino]-9-oxononanoate
CID 102069835
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
ethyl (E)-2-methyl-3-[4-[4-(methylsulfamoyl)anilino]phenyl]prop-2-enoate
CID 59893520
diethyl 2-[(4-chlorophenyl)methylidene]butanedioate
CID 85409409

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate (CID 12034641) is ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate is CCOC(=O)/C(=C\c1ccc(C)cc1)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
The InChIKey is NMFVPMLZDZZSEM-AQTBWJFISA-N. The full InChI is InChI=1S/C20H23NO4S/c1-4-25-20(22)18(13-17-9-5-15(2)6-10-17)14-21-26(23,24)19-11-7-16(3)8-12-19/h5-13,21H,4,14H2,1-3H3/b18-13-.
What are the key properties of ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate?
ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate has a molecular weight of 373.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate is sourced from PubChem (CID 12034641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).