N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C17H15N3O4S2 — CID 6390874

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1
InChIInChI=1S/C17H15N3O4S2/c1-12(15-4-2-10-24-15)18-19-17(21)13-6-8-14(9-7-13)20-26(22,23)16-5-3-11-25-16/h2-11,20H,1H3,(H,19,21)/b18-12-
InChIKeyWVVAAZJHQRODQY-PDGQHHTCSA-N
MW389.46 g/mol
LogP3.30
Rot. Bonds6

About N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6390874) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6390874
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESC/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1
InChIInChI=1S/C17H15N3O4S2/c1-12(15-4-2-10-24-15)18-19-17(21)13-6-8-14(9-7-13)20-26(22,23)16-5-3-11-25-16/h2-11,20H,1H3,(H,19,21)/b18-12-
InChIKeyWVVAAZJHQRODQY-PDGQHHTCSA-N
XLogP3.30
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.30
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-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 6390874) is N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is WVVAAZJHQRODQY-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-12(15-4-2-10-24-15)18-19-17(21)13-6-8-14(9-7-13)20-26(22,23)16-5-3-11-25-16/h2-11,20H,1H3,(H,19,21)/b18-12-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6390874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).