(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide

C17H17N3O4S — CID 9413066

IUPAC(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17N3O4S/c18-25(23,24)15-8-4-7-14(11-15)20-17(22)12-19-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,21)(H,20,22)(H2,18,23,24)/b10-9+
InChIKeyBQAHNICWLYVIKG-MDZDMXLPSA-N
MW359.41 g/mol
LogP1.10
Rot. Bonds6

About (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide (PubChem CID 9413066) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
PubChem CID9413066
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17N3O4S/c18-25(23,24)15-8-4-7-14(11-15)20-17(22)12-19-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,21)(H,20,22)(H2,18,23,24)/b10-9+
InChIKeyBQAHNICWLYVIKG-MDZDMXLPSA-N
XLogP1.10
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
2,2-dimethyl-N-[3-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]phenyl]propanamide
CID 55536081
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
[2-(3-methoxyanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991685
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924167

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide (CID 9413066) is (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide is NS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide?
The InChIKey is BQAHNICWLYVIKG-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17N3O4S/c18-25(23,24)15-8-4-7-14(11-15)20-17(22)12-19-16(21)10-9-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,21)(H,20,22)(H2,18,23,24)/b10-9+.
What are the key properties of (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide has a molecular weight of 359.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9413066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).