N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide

C19H26N2O4S — CID 45003235

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(c2ccc(C)cc2)N(C)C)c1
InChIInChI=1S/C19H26N2O4S/c1-14-6-8-15(9-7-14)17(21(2)3)13-20-26(22,23)19-12-16(24-4)10-11-18(19)25-5/h6-12,17,20H,13H2,1-5H3
InChIKeyKFSNUKMQYCGQRT-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.59
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 45003235) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID45003235
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(c2ccc(C)cc2)N(C)C)c1
InChIInChI=1S/C19H26N2O4S/c1-14-6-8-15(9-7-14)17(21(2)3)13-20-26(22,23)19-12-16(24-4)10-11-18(19)25-5/h6-12,17,20H,13H2,1-5H3
InChIKeyKFSNUKMQYCGQRT-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide 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

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110287478
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide (CID 45003235) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCC(c2ccc(C)cc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is KFSNUKMQYCGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14-6-8-15(9-7-14)17(21(2)3)13-20-26(22,23)19-12-16(24-4)10-11-18(19)25-5/h6-12,17,20H,13H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 45003235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).