N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C21H20N4O6S4 — CID 6109773

IUPACN-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C1CCC/C(=N/NC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)C1
InChIInChI=1S/C21H20N4O6S4/c26-18-5-1-4-15(13-18)22-23-21(27)14-10-16(24-34(28,29)19-6-2-8-32-19)12-17(11-14)25-35(30,31)20-7-3-9-33-20/h2-3,6-12,24-25H,1,4-5,13H2,(H,23,27)/b22-15-
InChIKeyIIZGVBUBKQFTED-JCMHNJIXSA-N
MW552.68 g/mol
LogP3.64
Rot. Bonds8

About N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6109773) has the molecular formula C21H20N4O6S4 and a molecular weight of 552.68 g/mol. Its IUPAC name is N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6109773
Molecular FormulaC21H20N4O6S4
Molecular Weight552.68 g/mol
Exact Mass552.03
IUPAC NameN-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C1CCC/C(=N/NC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)C1
InChIInChI=1S/C21H20N4O6S4/c26-18-5-1-4-15(13-18)22-23-21(27)14-10-16(24-34(28,29)19-6-2-8-32-19)12-17(11-14)25-35(30,31)20-7-3-9-33-20/h2-3,6-12,24-25H,1,4-5,13H2,(H,23,27)/b22-15-
InChIKeyIIZGVBUBKQFTED-JCMHNJIXSA-N
XLogP3.64
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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Related Compounds

3,5-Bis[(2-thienylsulfonyl)amino]benzoic acid hydrazide
CID 2386135
N-[(E)-1-thiophen-2-ylethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6116707
N-[(E)-1-phenylethylideneamino]-4-(2-thienylsulfonylamino)benzamide
CID 9623759
N-[(Z)-(3-oxocyclohexylidene)amino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5794256
N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4039246
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 69044991
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2474347
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 5824968
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 6906407
N-[(3-oxocyclohexylidene)amino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 3327028
N-(1-phenylethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 3509676
N-[(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4435505

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 6109773) is N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C1CCC/C(=N/NC(=O)c2cc(NS(=O)(=O)c3cccs3)cc(NS(=O)(=O)c3cccs3)c2)C1.
What is the InChIKey of N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is IIZGVBUBKQFTED-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H20N4O6S4/c26-18-5-1-4-15(13-18)22-23-21(27)14-10-16(24-34(28,29)19-6-2-8-32-19)12-17(11-14)25-35(30,31)20-7-3-9-33-20/h2-3,6-12,24-25H,1,4-5,13H2,(H,23,27)/b22-15-.
What are the key properties of N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 552.68 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-oxocyclohexylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6109773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).