(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

C16H17N3O5S — CID 142468585

IUPAC(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1
InChIInChI=1S/C16H17N3O5S/c17-25(23,24)14-7-3-12(4-8-14)10-18-16(21)15(19-22)9-11-1-5-13(20)6-2-11/h1-8,20,22H,9-10H2,(H,18,21)(H2,17,23,24)/b19-15+
InChIKeyVPDQUGSDBWZGQZ-XDJHFCHBSA-N
MW363.40 g/mol
LogP0.73
Rot. Bonds6

About (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 142468585) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID142468585
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1
InChIInChI=1S/C16H17N3O5S/c17-25(23,24)14-7-3-12(4-8-14)10-18-16(21)15(19-22)9-11-1-5-13(20)6-2-11/h1-8,20,22H,9-10H2,(H,18,21)(H2,17,23,24)/b19-15+
InChIKeyVPDQUGSDBWZGQZ-XDJHFCHBSA-N
XLogP0.73
TPSA142.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 155520652
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 155565283
(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 142468591
(S)-3-(4-Hydroxy-phenyl)-2-(4-sulfamoyl-benzoylamino)-propionic acid
CID 44295795
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-hydroxyphenyl)propanamide
CID 53258999
N-[2-(3-hydroxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 57412424
(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 122185688
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 122185772
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 155517544
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 155540629
(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(oxan-2-yloxyimino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 155549616
(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 155558561

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 142468585) is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is VPDQUGSDBWZGQZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H17N3O5S/c17-25(23,24)14-7-3-12(4-8-14)10-18-16(21)15(19-22)9-11-1-5-13(20)6-2-11/h1-8,20,22H,9-10H2,(H,18,21)(H2,17,23,24)/b19-15+.
What are the key properties of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide?
(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 363.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 142468585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).