N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C15H22N2O4S — CID 3241217

IUPACN-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC)ccc21
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)17-9-7-12-11-13(5-6-14(12)17)22(19,20)16-8-4-10-21-2/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyTWIXYBAOAWMTFC-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.30
Rot. Bonds7

About N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 3241217) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID3241217
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC)ccc21
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)17-9-7-12-11-13(5-6-14(12)17)22(19,20)16-8-4-10-21-2/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyTWIXYBAOAWMTFC-UHFFFAOYSA-N
XLogP1.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 3241217) is N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCCOC)ccc21.
What is the InChIKey of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is TWIXYBAOAWMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-15(18)17-9-7-12-11-13(5-6-14(12)17)22(19,20)16-8-4-10-21-2/h5-6,11,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3241217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).