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

C23H29N3O5S — CID 42937618

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)N2CCOCC2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O5S/c1-3-31-22-9-8-17(14-23(22)29-2)19(20-15-24-21-7-5-4-6-18(20)21)16-25-32(27,28)26-10-12-30-13-11-26/h4-9,14-15,19,24-25H,3,10-13,16H2,1-2H3
InChIKeyKJCOGOHEAGAFLW-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.87
Rot. Bonds9

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

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide (PubChem CID 42937618) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide
PubChem CID42937618
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)N2CCOCC2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O5S/c1-3-31-22-9-8-17(14-23(22)29-2)19(20-15-24-21-7-5-4-6-18(20)21)16-25-32(27,28)26-10-12-30-13-11-26/h4-9,14-15,19,24-25H,3,10-13,16H2,1-2H3
InChIKeyKJCOGOHEAGAFLW-UHFFFAOYSA-N
XLogP2.87
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
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-[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
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 17013073
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
(2R)-N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813800
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide (CID 42937618) is N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide is CCOc1ccc(C(CNS(=O)(=O)N2CCOCC2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide?
The InChIKey is KJCOGOHEAGAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-3-31-22-9-8-17(14-23(22)29-2)19(20-15-24-21-7-5-4-6-18(20)21)16-25-32(27,28)26-10-12-30-13-11-26/h4-9,14-15,19,24-25H,3,10-13,16H2,1-2H3.
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide?
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide has a molecular weight of 459.57 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 42937618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).