5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one

C14H13N3O3S — CID 62840690

IUPAC5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one
SMILESCC(Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2)c1ccsc1
InChIInChI=1S/C14H13N3O3S/c1-8(9-2-3-21-7-9)15-12-6-11-10(5-14(18)16-11)4-13(12)17(19)20/h2-4,6-8,15H,5H2,1H3,(H,16,18)
InChIKeyWFUSMPXHNZFTKL-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.32
Rot. Bonds4

About 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one

5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one (PubChem CID 62840690) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one
PubChem CID62840690
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one
SMILESCC(Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2)c1ccsc1
InChIInChI=1S/C14H13N3O3S/c1-8(9-2-3-21-7-9)15-12-6-11-10(5-14(18)16-11)4-13(12)17(19)20/h2-4,6-8,15H,5H2,1H3,(H,16,18)
InChIKeyWFUSMPXHNZFTKL-UHFFFAOYSA-N
XLogP3.32
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-nitro-N-(1-thiophen-3-ylethyl)aniline
CID 83005687
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
CID 61480339
4-iodo-2-nitro-N-(1-thiophen-3-ylethyl)aniline
CID 66065103
5-[(1R)-1-(4-fluoro-2-nitroanilino)ethyl]-1,3-dihydroindol-2-one
CID 94182842
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
2-methyl-6-nitro-N-(1-thiophen-3-ylethyl)-1,3-benzothiazol-5-amine
CID 62840866
6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one
CID 104594187
N-methyl-4-nitro-3-(1-thiophen-3-ylethylamino)benzamide
CID 82993038
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-[(4-methylcyclohexyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 43427396
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one (CID 62840690) is 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one is CC(Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2)c1ccsc1.
What is the InChIKey of 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is WFUSMPXHNZFTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-8(9-2-3-21-7-9)15-12-6-11-10(5-14(18)16-11)4-13(12)17(19)20/h2-4,6-8,15H,5H2,1H3,(H,16,18).
What are the key properties of 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one?
5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 303.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(1-thiophen-3-ylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62840690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).