4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide

C22H26N2O3S2 — CID 34716492

IUPAC4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide
SMILESCc1ccc(CN(CCOc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2)s1
InChIInChI=1S/C22H26N2O3S2/c1-18-7-10-21(28-18)17-24(14-13-19-5-3-2-4-6-19)15-16-27-20-8-11-22(12-9-20)29(23,25)26/h2-12H,13-17H2,1H3,(H2,23,25,26)
InChIKeyRGQFOKHGKCKSMA-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.83
Rot. Bonds10

About 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide

4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide (PubChem CID 34716492) has the molecular formula C22H26N2O3S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide
PubChem CID34716492
Molecular FormulaC22H26N2O3S2
Molecular Weight430.60 g/mol
Exact Mass430.14
IUPAC Name4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide
SMILESCc1ccc(CN(CCOc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2)s1
InChIInChI=1S/C22H26N2O3S2/c1-18-7-10-21(28-18)17-24(14-13-19-5-3-2-4-6-19)15-16-27-20-8-11-22(12-9-20)29(23,25)26/h2-12H,13-17H2,1H3,(H2,23,25,26)
InChIKeyRGQFOKHGKCKSMA-UHFFFAOYSA-N
XLogP3.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 26651467
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 55987930
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
CID 56542585
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
ethyl 4-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)sulfamoyl]piperazine-1-carboxylate
CID 55861816
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide (CID 34716492) is 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide is Cc1ccc(CN(CCOc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2)s1.
What is the InChIKey of 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide?
The InChIKey is RGQFOKHGKCKSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S2/c1-18-7-10-21(28-18)17-24(14-13-19-5-3-2-4-6-19)15-16-27-20-8-11-22(12-9-20)29(23,25)26/h2-12H,13-17H2,1H3,(H2,23,25,26).
What are the key properties of 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide?
4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide has a molecular weight of 430.60 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 34716492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).