N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide

C23H32N2O5S2 — CID 30126245

IUPACN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C
InChIInChI=1S/C23H32N2O5S2/c1-3-30-23-14-13-22(17-18(23)2)31(26,27)24-16-15-19-9-11-21(12-10-19)32(28,29)25-20-7-5-4-6-8-20/h9-14,17,20,24-25H,3-8,15-16H2,1-2H3
InChIKeyZFDIIPIVEDWAAX-UHFFFAOYSA-N
MW480.65 g/mol
LogP3.53
Rot. Bonds10

About N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide

N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 30126245) has the molecular formula C23H32N2O5S2 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID30126245
Molecular FormulaC23H32N2O5S2
Molecular Weight480.65 g/mol
Exact Mass480.18
IUPAC NameN-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C
InChIInChI=1S/C23H32N2O5S2/c1-3-30-23-14-13-22(17-18(23)2)31(26,27)24-16-15-19-9-11-21(12-10-19)32(28,29)25-20-7-5-4-6-8-20/h9-14,17,20,24-25H,3-8,15-16H2,1-2H3
InChIKeyZFDIIPIVEDWAAX-UHFFFAOYSA-N
XLogP3.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
4-ethoxy-3-methyl-N-[3-(4-piperidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16891183
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
4-ethoxy-3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972556
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
CID 25248820
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide (CID 30126245) is N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C.
What is the InChIKey of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is ZFDIIPIVEDWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S2/c1-3-30-23-14-13-22(17-18(23)2)31(26,27)24-16-15-19-9-11-21(12-10-19)32(28,29)25-20-7-5-4-6-8-20/h9-14,17,20,24-25H,3-8,15-16H2,1-2H3.
What are the key properties of N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide?
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 480.65 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 30126245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).