N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide

C25H33N3O3S — CID 20853293

IUPACN-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1
InChIInChI=1S/C25H33N3O3S/c1-2-27(19-20-8-4-3-5-9-20)16-7-15-26-32(30,31)23-12-13-24-22(18-23)14-17-28(24)25(29)21-10-6-11-21/h3-5,8-9,12-13,18,21,26H,2,6-7,10-11,14-17,19H2,1H3
InChIKeyCEYHXFUXACKWNJ-UHFFFAOYSA-N
MW455.62 g/mol
LogP3.57
Rot. Bonds10

About N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide

N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 20853293) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID20853293
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1
InChIInChI=1S/C25H33N3O3S/c1-2-27(19-20-8-4-3-5-9-20)16-7-15-26-32(30,31)23-12-13-24-22(18-23)14-17-28(24)25(29)21-10-6-11-21/h3-5,8-9,12-13,18,21,26H,2,6-7,10-11,14-17,19H2,1H3
InChIKeyCEYHXFUXACKWNJ-UHFFFAOYSA-N
XLogP3.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 53.57
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-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide (CID 20853293) is N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide is CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CEYHXFUXACKWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-2-27(19-20-8-4-3-5-9-20)16-7-15-26-32(30,31)23-12-13-24-22(18-23)14-17-28(24)25(29)21-10-6-11-21/h3-5,8-9,12-13,18,21,26H,2,6-7,10-11,14-17,19H2,1H3.
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 455.62 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20853293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).