2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide

C20H25N3O3S2 — CID 42912536

IUPAC2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
SMILESCC1C/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C20H25N3O3S2/c1-14-11-15(13-20(2,3)12-14)21-22-19(24)16-7-4-5-8-17(16)23-28(25,26)18-9-6-10-27-18/h4-10,14,23H,11-13H2,1-3H3,(H,22,24)/b21-15+
InChIKeyYXQDSOVEQJAZGR-RCCKNPSSSA-N
MW419.57 g/mol
LogP4.48
Rot. Bonds5

About 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide

2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide (PubChem CID 42912536) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
PubChem CID42912536
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
SMILESCC1C/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C20H25N3O3S2/c1-14-11-15(13-20(2,3)12-14)21-22-19(24)16-7-4-5-8-17(16)23-28(25,26)18-9-6-10-27-18/h4-10,14,23H,11-13H2,1-3H3,(H,22,24)/b21-15+
InChIKeyYXQDSOVEQJAZGR-RCCKNPSSSA-N
XLogP4.48
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2352679
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 3451346
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
The IUPAC name of 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide (CID 42912536) is 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
The canonical SMILES for 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide is CC1C/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC(C)(C)C1.
What is the InChIKey of 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
The InChIKey is YXQDSOVEQJAZGR-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-14-11-15(13-20(2,3)12-14)21-22-19(24)16-7-4-5-8-17(16)23-28(25,26)18-9-6-10-27-18/h4-10,14,23H,11-13H2,1-3H3,(H,22,24)/b21-15+.
What are the key properties of 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide?
2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide has a molecular weight of 419.57 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 42912536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).