N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C21H17N3O4S2 — CID 4569049

IUPACN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C21H17N3O4S2/c1-14(19-13-15-7-2-5-10-18(15)28-19)22-23-21(25)16-8-3-4-9-17(16)24-30(26,27)20-11-6-12-29-20/h2-13,24H,1H3,(H,23,25)
InChIKeyPMVYUNPRRZCALB-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 4569049) has the molecular formula C21H17N3O4S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID4569049
Molecular FormulaC21H17N3O4S2
Molecular Weight439.52 g/mol
Exact Mass439.07
IUPAC NameN-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C21H17N3O4S2/c1-14(19-13-15-7-2-5-10-18(15)28-19)22-23-21(25)16-8-3-4-9-17(16)24-30(26,27)20-11-6-12-29-20/h2-13,24H,1H3,(H,23,25)
InChIKeyPMVYUNPRRZCALB-UHFFFAOYSA-N
XLogP4.45
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 4569049) is N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is PMVYUNPRRZCALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S2/c1-14(19-13-15-7-2-5-10-18(15)28-19)22-23-21(25)16-8-3-4-9-17(16)24-30(26,27)20-11-6-12-29-20/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 4569049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).