7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide

C25H26N2O5S2 — CID 11329486

IUPAC7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCN(c1ccc(-c2cc3ccccc3o2)cc1)S(=O)(=O)c1cccs1)NO
InChIInChI=1S/C25H26N2O5S2/c28-24(26-29)10-3-1-2-6-16-27(34(30,31)25-11-7-17-33-25)21-14-12-19(13-15-21)23-18-20-8-4-5-9-22(20)32-23/h4-5,7-9,11-15,17-18,29H,1-3,6,10,16H2,(H,26,28)
InChIKeyRRLZBZCTODJIPJ-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.81
Rot. Bonds11

About 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide

7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide (PubChem CID 11329486) has the molecular formula C25H26N2O5S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
PubChem CID11329486
Molecular FormulaC25H26N2O5S2
Molecular Weight498.63 g/mol
Exact Mass498.13
IUPAC Name7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCN(c1ccc(-c2cc3ccccc3o2)cc1)S(=O)(=O)c1cccs1)NO
InChIInChI=1S/C25H26N2O5S2/c28-24(26-29)10-3-1-2-6-16-27(34(30,31)25-11-7-17-33-25)21-14-12-19(13-15-21)23-18-20-8-4-5-9-22(20)32-23/h4-5,7-9,11-15,17-18,29H,1-3,6,10,16H2,(H,26,28)
InChIKeyRRLZBZCTODJIPJ-UHFFFAOYSA-N
XLogP5.81
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
CID 142976524
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
CID 23072393
1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone
CID 64644105
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
(2R)-2-[[4-(1-benzofuran-2-yl)phenyl]sulfonyl-(methoxymethyl)amino]propanoic acid
CID 139789577
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 159103073
7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide
CID 142976542

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide?
The IUPAC name of 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide (CID 11329486) is 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide is O=C(CCCCCCN(c1ccc(-c2cc3ccccc3o2)cc1)S(=O)(=O)c1cccs1)NO.
What is the InChIKey of 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide?
The InChIKey is RRLZBZCTODJIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S2/c28-24(26-29)10-3-1-2-6-16-27(34(30,31)25-11-7-17-33-25)21-14-12-19(13-15-21)23-18-20-8-4-5-9-22(20)32-23/h4-5,7-9,11-15,17-18,29H,1-3,6,10,16H2,(H,26,28).
What are the key properties of 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide?
7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide has a molecular weight of 498.63 g/mol, XLogP of 5.81, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide is sourced from PubChem (CID 11329486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).