4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide

C19H22N2O3S — CID 110357493

IUPAC4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C19H22N2O3S/c1-4-24-18-9-14(3)19(10-13(18)2)25(22,23)21-12-15-11-20-17-8-6-5-7-16(15)17/h5-11,20-21H,4,12H2,1-3H3
InChIKeyIGQPDJAHXIQCBM-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.66
Rot. Bonds6

About 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide

4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 110357493) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
PubChem CID110357493
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C19H22N2O3S/c1-4-24-18-9-14(3)19(10-13(18)2)25(22,23)21-12-15-11-20-17-8-6-5-7-16(15)17/h5-11,20-21H,4,12H2,1-3H3
InChIKeyIGQPDJAHXIQCBM-UHFFFAOYSA-N
XLogP3.66
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110415785
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 166232780
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide (CID 110357493) is 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCc2c[nH]c3ccccc23)cc1C.
What is the InChIKey of 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is IGQPDJAHXIQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-24-18-9-14(3)19(10-13(18)2)25(22,23)21-12-15-11-20-17-8-6-5-7-16(15)17/h5-11,20-21H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide?
4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110357493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).