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

C13H19N3O3S — CID 62664588

IUPACN-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O3S/c1-3-14-6-7-15-20(18,19)11-4-5-12-10(8-11)9-13(17)16(12)2/h4-5,8,14-15H,3,6-7,9H2,1-2H3
InChIKeyMPZUAOPJRMHKDH-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.09
Rot. Bonds6

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

N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 62664588) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID62664588
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H19N3O3S/c1-3-14-6-7-15-20(18,19)11-4-5-12-10(8-11)9-13(17)16(12)2/h4-5,8,14-15H,3,6-7,9H2,1-2H3
InChIKeyMPZUAOPJRMHKDH-UHFFFAOYSA-N
XLogP0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 113083966
N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
CID 113057038
N-[2-(2,4-dimethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113100921

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 62664588) is N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCNCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is MPZUAOPJRMHKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-14-6-7-15-20(18,19)11-4-5-12-10(8-11)9-13(17)16(12)2/h4-5,8,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 62664588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).