N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

C22H24N2O5S — CID 16830237

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccco2)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C22H24N2O5S/c1-27-21-10-9-17(14-22(21)28-2)30(25,26)23-15-19(20-8-5-13-29-20)24-12-11-16-6-3-4-7-18(16)24/h3-10,13-14,19,23H,11-12,15H2,1-2H3
InChIKeyCTNDHEAMGHSZRM-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 16830237) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID16830237
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccco2)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C22H24N2O5S/c1-27-21-10-9-17(14-22(21)28-2)30(25,26)23-15-19(20-8-5-13-29-20)24-12-11-16-6-3-4-7-18(16)24/h3-10,13-14,19,23H,11-12,15H2,1-2H3
InChIKeyCTNDHEAMGHSZRM-UHFFFAOYSA-N
XLogP3.38
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 16806022
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 7178892
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 41180939
5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 16803269
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 2468130
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30717095
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 16933321
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 41180985
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 16830237) is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccco2)N2CCc3ccccc32)cc1OC.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is CTNDHEAMGHSZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-27-21-10-9-17(14-22(21)28-2)30(25,26)23-15-19(20-8-5-13-29-20)24-12-11-16-6-3-4-7-18(16)24/h3-10,13-14,19,23H,11-12,15H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 16830237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).