N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C20H33N3O3S — CID 20851711

IUPACN-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCCN(CCC)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C20H33N3O3S/c1-4-12-22(13-5-2)14-7-11-21-27(25,26)18-8-9-19-17(16-18)10-15-23(19)20(24)6-3/h8-9,16,21H,4-7,10-15H2,1-3H3
InChIKeyWBRBUPDRKRBMOU-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.78
Rot. Bonds11

About N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20851711) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20851711
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCCN(CCC)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C20H33N3O3S/c1-4-12-22(13-5-2)14-7-11-21-27(25,26)18-8-9-19-17(16-18)10-15-23(19)20(24)6-3/h8-9,16,21H,4-7,10-15H2,1-3H3
InChIKeyWBRBUPDRKRBMOU-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.78
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

1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100588228
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
CID 20853417
N-[3-[benzyl(ethyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853293
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100548107
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 20851711) is N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCCN(CCC)CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WBRBUPDRKRBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-12-22(13-5-2)14-7-11-21-27(25,26)18-8-9-19-17(16-18)10-15-23(19)20(24)6-3/h8-9,16,21H,4-7,10-15H2,1-3H3.
What are the key properties of N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 395.57 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20851711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).