N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide

C22H30N2O3S — CID 36575306

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-3-27-20-13-15-21(16-14-20)28(25,26)23-22-12-8-7-9-18(22)17-24(2)19-10-5-4-6-11-19/h7-9,12-16,19,23H,3-6,10-11,17H2,1-2H3
InChIKeyAGDCJCPGTOMUFN-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.65
Rot. Bonds8

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide (PubChem CID 36575306) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
PubChem CID36575306
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-3-27-20-13-15-21(16-14-20)28(25,26)23-22-12-8-7-9-18(22)17-24(2)19-10-5-4-6-11-19/h7-9,12-16,19,23H,3-6,10-11,17H2,1-2H3
InChIKeyAGDCJCPGTOMUFN-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 36575546
N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532191
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
methyl 3-chloro-4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 52857530
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide (CID 36575306) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is AGDCJCPGTOMUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-27-20-13-15-21(16-14-20)28(25,26)23-22-12-8-7-9-18(22)17-24(2)19-10-5-4-6-11-19/h7-9,12-16,19,23H,3-6,10-11,17H2,1-2H3.
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 36575306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).