4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide

C20H26N2O3S — CID 32517776

IUPAC4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-21(2)26(23,24)20-12-10-19(11-13-20)25-15-14-22(18-8-9-18)16-17-6-4-3-5-7-17/h3-7,10-13,18H,8-9,14-16H2,1-2H3
InChIKeyGUZMYYOSYXCTLB-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.98
Rot. Bonds9

About 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 32517776) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID32517776
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCN(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-21(2)26(23,24)20-12-10-19(11-13-20)25-15-14-22(18-8-9-18)16-17-6-4-3-5-7-17/h3-7,10-13,18H,8-9,14-16H2,1-2H3
InChIKeyGUZMYYOSYXCTLB-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethoxy]benzenesulfonamide
CID 34712914
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
N,N-dimethyl-4-[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 42926100
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-dimethyl-4-N-[(1R,2S)-2-methylcyclohexyl]benzene-1,4-disulfonamide
CID 40629286
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9281789
N,N-dimethyl-4-[2-[methyl(naphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 60572938

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide (CID 32517776) is 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCN(Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GUZMYYOSYXCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-21(2)26(23,24)20-12-10-19(11-13-20)25-15-14-22(18-8-9-18)16-17-6-4-3-5-7-17/h3-7,10-13,18H,8-9,14-16H2,1-2H3.
What are the key properties of 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 32517776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).