methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate

C19H20N2O5S — CID 24756036

IUPACmethyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O5S/c1-14-8-10-16(11-9-14)27(24,25)20-13-18(22)21-17(19(23)26-2)12-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3,(H,21,22)/b17-12-
InChIKeyWFNMJQJGIKPBOV-ATVHPVEESA-N
MW388.45 g/mol
LogP1.60
Rot. Bonds7

About methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate

methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate (PubChem CID 24756036) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate
PubChem CID24756036
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namemethyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/c1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N2O5S/c1-14-8-10-16(11-9-14)27(24,25)20-13-18(22)21-17(19(23)26-2)12-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3,(H,21,22)/b17-12-
InChIKeyWFNMJQJGIKPBOV-ATVHPVEESA-N
XLogP1.60
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z)-2-benzylidene-3,3-dimethylbutyl]-4-methylbenzenesulfonamide
CID 10043080
ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 12034641
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
2-(benzenesulfonamido)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51061440
methyl (E)-2-acetamido-3-[2-[(4-methylphenyl)sulfonylmethyl]phenyl]prop-2-enoate
CID 10883582
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061289

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate (CID 24756036) is methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate is COC(=O)/C(=C/c1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate?
The InChIKey is WFNMJQJGIKPBOV-ATVHPVEESA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-14-8-10-16(11-9-14)27(24,25)20-13-18(22)21-17(19(23)26-2)12-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3,(H,21,22)/b17-12-.
What are the key properties of methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate?
methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate has a molecular weight of 388.45 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 24756036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).