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

C23H29N3O4S — CID 42942257

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)N2CCCC2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O4S/c1-3-30-22-11-10-17(14-23(22)29-2)19(16-25-31(27,28)26-12-6-7-13-26)20-15-24-21-9-5-4-8-18(20)21/h4-5,8-11,14-15,19,24-25H,3,6-7,12-13,16H2,1-2H3
InChIKeyOGSPHLVQOXTFKH-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.64
Rot. Bonds9

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

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide (PubChem CID 42942257) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide
PubChem CID42942257
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide
SMILESCCOc1ccc(C(CNS(=O)(=O)N2CCCC2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H29N3O4S/c1-3-30-22-11-10-17(14-23(22)29-2)19(16-25-31(27,28)26-12-6-7-13-26)20-15-24-21-9-5-4-8-18(20)21/h4-5,8-11,14-15,19,24-25H,3,6-7,12-13,16H2,1-2H3
InChIKeyOGSPHLVQOXTFKH-UHFFFAOYSA-N
XLogP3.64
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.64
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]morpholine-4-sulfonamide
CID 42937618
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
(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-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 17013073
N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26996376
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
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide (CID 42942257) is N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide is CCOc1ccc(C(CNS(=O)(=O)N2CCCC2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is OGSPHLVQOXTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-30-22-11-10-17(14-23(22)29-2)19(16-25-31(27,28)26-12-6-7-13-26)20-15-24-21-9-5-4-8-18(20)21/h4-5,8-11,14-15,19,24-25H,3,6-7,12-13,16H2,1-2H3.
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide?
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.64, 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 42942257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).