N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C23H29N5O4S — CID 3245416

IUPACN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C23H29N5O4S/c1-2-22(29)28-12-9-18-17-19(6-7-20(18)28)33(31,32)25-11-8-23(30)27-15-13-26(14-16-27)21-5-3-4-10-24-21/h3-7,10,17,25H,2,8-9,11-16H2,1H3
InChIKeyHKCKMOOQDKONCM-UHFFFAOYSA-N
MW471.58 g/mol
LogP1.40
Rot. Bonds7

About N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 3245416) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID3245416
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC NameN-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C23H29N5O4S/c1-2-22(29)28-12-9-18-17-19(6-7-20(18)28)33(31,32)25-11-8-23(30)27-15-13-26(14-16-27)21-5-3-4-10-24-21/h3-7,10,17,25H,2,8-9,11-16H2,1H3
InChIKeyHKCKMOOQDKONCM-UHFFFAOYSA-N
XLogP1.40
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 3245416) is N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HKCKMOOQDKONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-2-22(29)28-12-9-18-17-19(6-7-20(18)28)33(31,32)25-11-8-23(30)27-15-13-26(14-16-27)21-5-3-4-10-24-21/h3-7,10,17,25H,2,8-9,11-16H2,1H3.
What are the key properties of N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 471.58 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3245416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).