N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

C24H18N4O6S4 — CID 6519249

IUPACN-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C1/CC(=O)c2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C24H18N4O6S4/c29-21-14-20(18-5-1-2-6-19(18)21)25-26-24(30)15-11-16(27-37(31,32)22-7-3-9-35-22)13-17(12-15)28-38(33,34)23-8-4-10-36-23/h1-13,27-28H,14H2,(H,26,30)/b25-20-
InChIKeyVTLHYZRFEDMHAV-QQTULTPQSA-N
MW586.70 g/mol
LogP4.13
Rot. Bonds8

About N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide

N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 6519249) has the molecular formula C24H18N4O6S4 and a molecular weight of 586.70 g/mol. Its IUPAC name is N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
PubChem CID6519249
Molecular FormulaC24H18N4O6S4
Molecular Weight586.70 g/mol
Exact Mass586.01
IUPAC NameN-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(N/N=C1/CC(=O)c2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C24H18N4O6S4/c29-21-14-20(18-5-1-2-6-19(18)21)25-26-24(30)15-11-16(27-37(31,32)22-7-3-9-35-22)13-17(12-15)28-38(33,34)23-8-4-10-36-23/h1-13,27-28H,14H2,(H,26,30)/b25-20-
InChIKeyVTLHYZRFEDMHAV-QQTULTPQSA-N
XLogP4.13
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.70
LogP ≤ 54.13
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

N-(thiolan-3-ylideneamino)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 5167189
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
N-(2-phenylphenyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2354546
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
(3-chlorophenyl)methyl 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25043128
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 135745545
(3,3-dimethyl-2-oxobutyl) 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037570
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
N-[(Z)-1-(furan-2-yl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6390874
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide (CID 6519249) is N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is O=C(N/N=C1/CC(=O)c2ccccc21)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is VTLHYZRFEDMHAV-QQTULTPQSA-N. The full InChI is InChI=1S/C24H18N4O6S4/c29-21-14-20(18-5-1-2-6-19(18)21)25-26-24(30)15-11-16(27-37(31,32)22-7-3-9-35-22)13-17(12-15)28-38(33,34)23-8-4-10-36-23/h1-13,27-28H,14H2,(H,26,30)/b25-20-.
What are the key properties of N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide?
N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 586.70 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-oxoinden-1-ylidene)amino]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 6519249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).