1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide

C20H21N3O3S — CID 113083966

IUPAC1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCCc3cn(C)c4ccccc34)ccc21
InChIInChI=1S/C20H21N3O3S/c1-22-13-14(17-5-3-4-6-19(17)22)9-10-21-27(25,26)16-7-8-18-15(11-16)12-20(24)23(18)2/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyDEEWLHQKRNJJEG-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.22
Rot. Bonds5

About 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 113083966) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID113083966
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCCc3cn(C)c4ccccc34)ccc21
InChIInChI=1S/C20H21N3O3S/c1-22-13-14(17-5-3-4-6-19(17)22)9-10-21-27(25,26)16-7-8-18-15(11-16)12-20(24)23(18)2/h3-8,11,13,21H,9-10,12H2,1-2H3
InChIKeyDEEWLHQKRNJJEG-UHFFFAOYSA-N
XLogP2.22
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide
CID 110323374
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-[2-(2-fluorophenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099232
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602602

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide (CID 113083966) is 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NCCc3cn(C)c4ccccc34)ccc21.
What is the InChIKey of 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is DEEWLHQKRNJJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22-13-14(17-5-3-4-6-19(17)22)9-10-21-27(25,26)16-7-8-18-15(11-16)12-20(24)23(18)2/h3-8,11,13,21H,9-10,12H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 113083966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).