N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide

C25H26N2O4S — CID 55435875

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C25H26N2O4S/c1-3-31-24-14-13-18(15-25(24)30-2)21(22-16-26-23-12-8-7-11-20(22)23)17-27-32(28,29)19-9-5-4-6-10-19/h4-16,21,26-27H,3,17H2,1-2H3
InChIKeyUEAFYXLUYXQTPW-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.69
Rot. Bonds9

About N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 55435875) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID55435875
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C25H26N2O4S/c1-3-31-24-14-13-18(15-25(24)30-2)21(22-16-26-23-12-8-7-11-20(22)23)17-27-32(28,29)19-9-5-4-6-10-19/h4-16,21,26-27H,3,17H2,1-2H3
InChIKeyUEAFYXLUYXQTPW-UHFFFAOYSA-N
XLogP4.69
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 42942257
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide
CID 42937618
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
N-[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 41090894
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 60606874
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119692889
3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 29204639
N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573472
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 17013073
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 55435875) is N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide is CCOc1ccc(C(CNS(=O)(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is UEAFYXLUYXQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-3-31-24-14-13-18(15-25(24)30-2)21(22-16-26-23-12-8-7-11-20(22)23)17-27-32(28,29)19-9-5-4-6-10-19/h4-16,21,26-27H,3,17H2,1-2H3.
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55435875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).