N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide

C24H31N3O5S — CID 27598657

IUPACN-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1C
InChIInChI=1S/C24H31N3O5S/c1-17-9-12-21(15-18(17)2)32-16-23(28)25-26-24(29)19-10-13-22(14-11-19)33(30,31)27(3)20-7-5-4-6-8-20/h9-15,20H,4-8,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyFRJOHRLBYWILKQ-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.10
Rot. Bonds7

About N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide

N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide (PubChem CID 27598657) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide
PubChem CID27598657
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1C
InChIInChI=1S/C24H31N3O5S/c1-17-9-12-21(15-18(17)2)32-16-23(28)25-26-24(29)19-10-13-22(14-11-19)33(30,31)27(3)20-7-5-4-6-8-20/h9-15,20H,4-8,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyFRJOHRLBYWILKQ-UHFFFAOYSA-N
XLogP3.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 24661370
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944471
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 26846171
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924171
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9033321
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26313001
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide (CID 27598657) is N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide is Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1C.
What is the InChIKey of N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide?
The InChIKey is FRJOHRLBYWILKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17-9-12-21(15-18(17)2)32-16-23(28)25-26-24(29)19-10-13-22(14-11-19)33(30,31)27(3)20-7-5-4-6-8-20/h9-15,20H,4-8,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide?
N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide has a molecular weight of 473.60 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 27598657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).