N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C21H30N2O3S — CID 60530891

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(OCCN(C)C)cc2)c1C
InChIInChI=1S/C21H30N2O3S/c1-15-13-16(2)18(4)21(17(15)3)27(24,25)22-14-19-7-9-20(10-8-19)26-12-11-23(5)6/h7-10,13,22H,11-12,14H2,1-6H3
InChIKeyAWSWPYRGSPALCD-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.34
Rot. Bonds8

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 60530891) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID60530891
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(OCCN(C)C)cc2)c1C
InChIInChI=1S/C21H30N2O3S/c1-15-13-16(2)18(4)21(17(15)3)27(24,25)22-14-19-7-9-20(10-8-19)26-12-11-23(5)6/h7-10,13,22H,11-12,14H2,1-6H3
InChIKeyAWSWPYRGSPALCD-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide 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

dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191339
2-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 60530864
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate
CID 4157565
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 52616778
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide
CID 55697946
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
2,3,5,6-tetramethyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 60539644

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 60530891) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(OCCN(C)C)cc2)c1C.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is AWSWPYRGSPALCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-15-13-16(2)18(4)21(17(15)3)27(24,25)22-14-19-7-9-20(10-8-19)26-12-11-23(5)6/h7-10,13,22H,11-12,14H2,1-6H3.
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 390.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 60530891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).