3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide

C15H22N2O4S — CID 110343036

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O4S/c1-21-11-4-9-16-15(18)8-12-22(19,20)17-10-7-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,16,18)
InChIKeyHHUAHVCFOSKIGQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.92
Rot. Bonds8

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide (PubChem CID 110343036) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
PubChem CID110343036
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O4S/c1-21-11-4-9-16-15(18)8-12-22(19,20)17-10-7-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,16,18)
InChIKeyHHUAHVCFOSKIGQ-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.92
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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Related Compounds

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
CID 60584916
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110918358
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)urea
CID 46383502

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide (CID 110343036) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is HHUAHVCFOSKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-11-4-9-16-15(18)8-12-22(19,20)17-10-7-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,16,18).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 110343036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).