4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide

C26H38N2O4S2 — CID 26987511

IUPAC4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@]2(C)C[C@@H](NS(=O)(=O)c3ccc(CC)cc3)CC(C)(C)C2)cc1
InChIInChI=1S/C26H38N2O4S2/c1-6-20-8-12-23(13-9-20)33(29,30)27-19-26(5)17-22(16-25(3,4)18-26)28-34(31,32)24-14-10-21(7-2)11-15-24/h8-15,22,27-28H,6-7,16-19H2,1-5H3/t22-,26+/m0/s1
InChIKeyDKMWFKYFHYZURJ-BKMJKUGQSA-N
MW506.73 g/mol
LogP4.65
Rot. Bonds9

About 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide

4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide (PubChem CID 26987511) has the molecular formula C26H38N2O4S2 and a molecular weight of 506.73 g/mol. Its IUPAC name is 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide
PubChem CID26987511
Molecular FormulaC26H38N2O4S2
Molecular Weight506.73 g/mol
Exact Mass506.23
IUPAC Name4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@]2(C)C[C@@H](NS(=O)(=O)c3ccc(CC)cc3)CC(C)(C)C2)cc1
InChIInChI=1S/C26H38N2O4S2/c1-6-20-8-12-23(13-9-20)33(29,30)27-19-26(5)17-22(16-25(3,4)18-26)28-34(31,32)24-14-10-21(7-2)11-15-24/h8-15,22,27-28H,6-7,16-19H2,1-5H3/t22-,26+/m0/s1
InChIKeyDKMWFKYFHYZURJ-BKMJKUGQSA-N
XLogP4.65
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.73
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700216
2-nitro-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-nitrophenyl)sulfonylamino]cyclohexyl]methyl]benzenesulfonamide
CID 98287734
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
N-(3,3-dimethylcyclopentyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 114548187
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737625
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-4-sulfonamide
CID 103968306
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide (CID 26987511) is 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC[C@]2(C)C[C@@H](NS(=O)(=O)c3ccc(CC)cc3)CC(C)(C)C2)cc1.
What is the InChIKey of 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide?
The InChIKey is DKMWFKYFHYZURJ-BKMJKUGQSA-N. The full InChI is InChI=1S/C26H38N2O4S2/c1-6-20-8-12-23(13-9-20)33(29,30)27-19-26(5)17-22(16-25(3,4)18-26)28-34(31,32)24-14-10-21(7-2)11-15-24/h8-15,22,27-28H,6-7,16-19H2,1-5H3/t22-,26+/m0/s1.
What are the key properties of 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide?
4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide has a molecular weight of 506.73 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(1S,5S)-5-[(4-ethylphenyl)sulfonylamino]-1,3,3-trimethylcyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 26987511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).