N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide

C17H28N2O4S — CID 90607203

IUPACN-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)C1CCOCC1
InChIInChI=1S/C17H28N2O4S/c1-14-5-6-16(22-4)17(13-14)24(20,21)19(10-9-18(2)3)15-7-11-23-12-8-15/h5-6,13,15H,7-12H2,1-4H3
InChIKeyWWNMAJCDBNBUQM-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.73
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 90607203) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID90607203
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)C1CCOCC1
InChIInChI=1S/C17H28N2O4S/c1-14-5-6-16(22-4)17(13-14)24(20,21)19(10-9-18(2)3)15-7-11-23-12-8-15/h5-6,13,15H,7-12H2,1-4H3
InChIKeyWWNMAJCDBNBUQM-UHFFFAOYSA-N
XLogP1.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide 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-(dimethylamino)ethyl]-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607179
(E)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-N-(oxan-4-yl)ethenesulfonamide
CID 90607235
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947
3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 90607489
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
CID 90607046
2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 70785473
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 110752872
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697483
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 90607203) is N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)C1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is WWNMAJCDBNBUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14-5-6-16(22-4)17(13-14)24(20,21)19(10-9-18(2)3)15-7-11-23-12-8-15/h5-6,13,15H,7-12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 90607203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).