2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide

C26H35N3O4S — CID 3406489

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
SMILESCCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H35N3O4S/c1-5-33-23-17-15-22(16-18-23)29(34(31,32)24-9-7-6-8-10-24)19-25(30)28-27-21-13-11-20(12-14-21)26(2,3)4/h6-10,15-18,20H,5,11-14,19H2,1-4H3,(H,28,30)/b27-21-
InChIKeyUFQRLMUDYLTJEB-MEFGMAGPSA-N
MW485.65 g/mol
LogP4.99
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide (PubChem CID 3406489) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
PubChem CID3406489
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
SMILESCCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H35N3O4S/c1-5-33-23-17-15-22(16-18-23)29(34(31,32)24-9-7-6-8-10-24)19-25(30)28-27-21-13-11-20(12-14-21)26(2,3)4/h6-10,15-18,20H,5,11-14,19H2,1-4H3,(H,28,30)/b27-21-
InChIKeyUFQRLMUDYLTJEB-MEFGMAGPSA-N
XLogP4.99
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.99
H-Bond Donors ≤ 51
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-[(4-tert-butylcyclohexylidene)amino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126035261
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 5211353
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126334954
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3949286
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126118642
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-tert-butylcyclohexylidene)amino]benzamide
CID 4570874
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(cyclopentylideneamino)acetamide
CID 126139179
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 94837936
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 3142639

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide (CID 3406489) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide is CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
The InChIKey is UFQRLMUDYLTJEB-MEFGMAGPSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-5-33-23-17-15-22(16-18-23)29(34(31,32)24-9-7-6-8-10-24)19-25(30)28-27-21-13-11-20(12-14-21)26(2,3)4/h6-10,15-18,20H,5,11-14,19H2,1-4H3,(H,28,30)/b27-21-.
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide has a molecular weight of 485.65 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 3406489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).