2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide

C25H32BrN3O3S — CID 124544256

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C25H32BrN3O3S/c1-25(2,3)20-9-13-22(14-10-20)27-28-24(30)18-29(17-19-7-5-4-6-8-19)33(31,32)23-15-11-21(26)12-16-23/h4-8,11-12,15-16,20H,9-10,13-14,17-18H2,1-3H3,(H,28,30)/b27-22-
InChIKeyAAWUMDGCVLUVAH-QYQHSDTDSA-N
MW534.52 g/mol
LogP5.35
Rot. Bonds7

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide (PubChem CID 124544256) has the molecular formula C25H32BrN3O3S and a molecular weight of 534.52 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
PubChem CID124544256
Molecular FormulaC25H32BrN3O3S
Molecular Weight534.52 g/mol
Exact Mass533.13
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
SMILESCC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C25H32BrN3O3S/c1-25(2,3)20-9-13-22(14-10-20)27-28-24(30)18-29(17-19-7-5-4-6-8-19)33(31,32)23-15-11-21(26)12-16-23/h4-8,11-12,15-16,20H,9-10,13-14,17-18H2,1-3H3,(H,28,30)/b27-22-
InChIKeyAAWUMDGCVLUVAH-QYQHSDTDSA-N
XLogP5.35
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide
CID 1100941
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-tert-butylcyclohexylidene)amino]benzamide
CID 4570874
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 3406489
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 98106971
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
CID 1329684
2-[benzyl-(4-bromophenyl)sulfonylamino]acetate
CID 7317037
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3949286
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28543842
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 5211353
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 2204806
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide (CID 124544256) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide is CC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
The InChIKey is AAWUMDGCVLUVAH-QYQHSDTDSA-N. The full InChI is InChI=1S/C25H32BrN3O3S/c1-25(2,3)20-9-13-22(14-10-20)27-28-24(30)18-29(17-19-7-5-4-6-8-19)33(31,32)23-15-11-21(26)12-16-23/h4-8,11-12,15-16,20H,9-10,13-14,17-18H2,1-3H3,(H,28,30)/b27-22-.
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide has a molecular weight of 534.52 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 124544256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).