1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

C20H21N3O3S — CID 78820847

IUPAC1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCc3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C20H21N3O3S/c1-14(24)23-11-9-15-12-17(6-7-20(15)23)27(25,26)22-10-8-16-13-21-19-5-3-2-4-18(16)19/h2-7,12-13,21-22H,8-11H2,1H3
InChIKeyMSHFJCDQAKCHGJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.60
Rot. Bonds5

About 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 78820847) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID78820847
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCc3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C20H21N3O3S/c1-14(24)23-11-9-15-12-17(6-7-20(15)23)27(25,26)22-10-8-16-13-21-19-5-3-2-4-18(16)19/h2-7,12-13,21-22H,8-11H2,1H3
InChIKeyMSHFJCDQAKCHGJ-UHFFFAOYSA-N
XLogP2.60
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 31844142
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7286974
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 78820847) is 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCc3c[nH]c4ccccc34)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MSHFJCDQAKCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(24)23-11-9-15-12-17(6-7-20(15)23)27(25,26)22-10-8-16-13-21-19-5-3-2-4-18(16)19/h2-7,12-13,21-22H,8-11H2,1H3.
What are the key properties of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 78820847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).