(E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid

C19H19N3O7S — CID 55663076

IUPAC(E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C19H19N3O7S/c1-29-15-7-5-12(6-8-18(24)25)9-16(15)30(27,28)22-14-4-2-3-13(10-14)19(26)21-11-17(20)23/h2-10,22H,11H2,1H3,(H2,20,23)(H,21,26)(H,24,25)/b8-6+
InChIKeyZEYMDQYDHNUSCJ-SOFGYWHQSA-N
MW433.44 g/mol
LogP0.81
Rot. Bonds9

About (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid

(E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid (PubChem CID 55663076) has the molecular formula C19H19N3O7S and a molecular weight of 433.44 g/mol. Its IUPAC name is (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
PubChem CID55663076
Molecular FormulaC19H19N3O7S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC Name(E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
SMILESCOc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C19H19N3O7S/c1-29-15-7-5-12(6-8-18(24)25)9-16(15)30(27,28)22-14-4-2-3-13(10-14)19(26)21-11-17(20)23/h2-10,22H,11H2,1H3,(H2,20,23)(H,21,26)(H,24,25)/b8-6+
InChIKeyZEYMDQYDHNUSCJ-SOFGYWHQSA-N
XLogP0.81
TPSA164.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid 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

4-[[5-[(E)-2-carboxyethenyl]-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 1118035
(Z)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
CID 2493130
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
(E)-3-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 9160552
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
4-[[5-(2-carboxyethenyl)-2-methoxyphenyl]sulfonylamino]butanoic acid
CID 2769939
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
(E)-3-[3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid
CID 30284590
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218973
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid (CID 55663076) is (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid is COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1cccc(C(=O)NCC(N)=O)c1.
What is the InChIKey of (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid?
The InChIKey is ZEYMDQYDHNUSCJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H19N3O7S/c1-29-15-7-5-12(6-8-18(24)25)9-16(15)30(27,28)22-14-4-2-3-13(10-14)19(26)21-11-17(20)23/h2-10,22H,11H2,1H3,(H2,20,23)(H,21,26)(H,24,25)/b8-6+.
What are the key properties of (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid?
(E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid has a molecular weight of 433.44 g/mol, XLogP of 0.81, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 55663076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).