ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate

C17H22N2O5S — CID 17097504

IUPACethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CC(=O)OCC)cc1
InChIInChI=1S/C17H22N2O5S/c1-4-11-19(12-5-2)25(22,23)15-9-7-14(8-10-15)18-16(20)13-17(21)24-6-3/h4-5,7-10H,1-2,6,11-13H2,3H3,(H,18,20)
InChIKeyYPAQRCSDNBTRDS-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.94
Rot. Bonds10

About ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate

ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate (PubChem CID 17097504) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
PubChem CID17097504
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Nameethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CC(=O)OCC)cc1
InChIInChI=1S/C17H22N2O5S/c1-4-11-19(12-5-2)25(22,23)15-9-7-14(8-10-15)18-16(20)13-17(21)24-6-3/h4-5,7-10H,1-2,6,11-13H2,3H3,(H,18,20)
InChIKeyYPAQRCSDNBTRDS-UHFFFAOYSA-N
XLogP1.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227080
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
ethyl 3-[4-(tert-butylsulfamoyl)anilino]-3-oxopropanoate
CID 17097498
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 4777944
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17188906
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate (CID 17097504) is ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CC(=O)OCC)cc1.
What is the InChIKey of ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate?
The InChIKey is YPAQRCSDNBTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-4-11-19(12-5-2)25(22,23)15-9-7-14(8-10-15)18-16(20)13-17(21)24-6-3/h4-5,7-10H,1-2,6,11-13H2,3H3,(H,18,20).
What are the key properties of ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate?
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate has a molecular weight of 366.44 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate is sourced from PubChem (CID 17097504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).