N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C19H17N3O5S2 — CID 135614654

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1O
InChIInChI=1S/C19H17N3O5S2/c1-27-17-11-13(8-9-16(17)23)12-20-21-19(24)14-5-2-3-6-15(14)22-29(25,26)18-7-4-10-28-18/h2-12,22-23H,1H3,(H,21,24)/b20-12+
InChIKeyPOBHQFJNRIMKHW-UDWIEESQSA-N
MW431.50 g/mol
LogP3.03
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 135614654) has the molecular formula C19H17N3O5S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID135614654
Molecular FormulaC19H17N3O5S2
Molecular Weight431.50 g/mol
Exact Mass431.06
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1O
InChIInChI=1S/C19H17N3O5S2/c1-27-17-11-13(8-9-16(17)23)12-20-21-19(24)14-5-2-3-6-15(14)22-29(25,26)18-7-4-10-28-18/h2-12,22-23H,1H3,(H,21,24)/b20-12+
InChIKeyPOBHQFJNRIMKHW-UDWIEESQSA-N
XLogP3.03
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 135614654) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is POBHQFJNRIMKHW-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O5S2/c1-27-17-11-13(8-9-16(17)23)12-20-21-19(24)14-5-2-3-6-15(14)22-29(25,26)18-7-4-10-28-18/h2-12,22-23H,1H3,(H,21,24)/b20-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 135614654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).