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

C21H22N2O3S — CID 16806022

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccco2)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O3S/c1-16-8-10-18(11-9-16)27(24,25)22-15-20(21-7-4-14-26-21)23-13-12-17-5-2-3-6-19(17)23/h2-11,14,20,22H,12-13,15H2,1H3
InChIKeyCJUXGHHVLHAJGG-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.67
Rot. Bonds6

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

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 16806022) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID16806022
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccco2)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H22N2O3S/c1-16-8-10-18(11-9-16)27(24,25)22-15-20(21-7-4-14-26-21)23-13-12-17-5-2-3-6-19(17)23/h2-11,14,20,22H,12-13,15H2,1H3
InChIKeyCJUXGHHVLHAJGG-UHFFFAOYSA-N
XLogP3.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 16830237
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 40774952
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 7179087
2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethanamine
CID 16791029
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525395
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 18577549
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 7525323

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide (CID 16806022) is N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccco2)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CJUXGHHVLHAJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16-8-10-18(11-9-16)27(24,25)22-15-20(21-7-4-14-26-21)23-13-12-17-5-2-3-6-19(17)23/h2-11,14,20,22H,12-13,15H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16806022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).