(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H19N3O4S — CID 155560951

IUPAC(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/O)cc1
InChIInChI=1S/C17H19N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-17(21)16(20-22)12-14-4-2-1-3-5-14/h1-9,22H,10-12H2,(H,19,21)(H2,18,23,24)/b20-16+
InChIKeyLTVXYZWOBJFCSU-CAPFRKAQSA-N
MW361.42 g/mol
LogP1.07
Rot. Bonds7

About (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 155560951) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID155560951
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/O)cc1
InChIInChI=1S/C17H19N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-17(21)16(20-22)12-14-4-2-1-3-5-14/h1-9,22H,10-12H2,(H,19,21)(H2,18,23,24)/b20-16+
InChIKeyLTVXYZWOBJFCSU-CAPFRKAQSA-N
XLogP1.07
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 155560951) is (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is LTVXYZWOBJFCSU-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H19N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-17(21)16(20-22)12-14-4-2-1-3-5-14/h1-9,22H,10-12H2,(H,19,21)(H2,18,23,24)/b20-16+.
What are the key properties of (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 361.42 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 155560951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).