N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide

About N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide

N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide (PubChem CID 91359666) has the molecular formula C32H38N4O3S and a molecular weight of 558.75 g/mol. Its IUPAC name is N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name	N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide
PubChem CID	91359666
Molecular Formula	C32H38N4O3S
Molecular Weight	558.75 g/mol
Exact Mass	558.27
IUPAC Name	N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide
SMILES	CCCS(=O)(=O)Nc1ccc2c(c1)C(/C(=N/c1ccc(CN3C(C)CCCC3C)cc1)c1ccccc1)C(=O)N2
InChI	InChI=1S/C32H38N4O3S/c1-4-19-40(38,39)35-27-17-18-29-28(20-27)30(32(37)34-29)31(25-11-6-5-7-12-25)33-26-15-13-24(14-16-26)21-36-22(2)9-8-10-23(36)3/h5-7,11-18,20,22-23,30,35H,4,8-10,19,21H2,1-3H3,(H,34,37)/b33-31+
InChIKey	JJWHHYYTIDFZTI-QOSDPKFLSA-N
XLogP	6.46
TPSA	90.87 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.75
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide?

The IUPAC name of N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide (CID 91359666) is N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2c(c1)C(/C(=N/c1ccc(CN3C(C)CCCC3C)cc1)c1ccccc1)C(=O)N2.

What is the InChIKey of N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide?

The InChIKey is JJWHHYYTIDFZTI-QOSDPKFLSA-N. The full InChI is InChI=1S/C32H38N4O3S/c1-4-19-40(38,39)35-27-17-18-29-28(20-27)30(32(37)34-29)31(25-11-6-5-7-12-25)33-26-15-13-24(14-16-26)21-36-22(2)9-8-10-23(36)3/h5-7,11-18,20,22-23,30,35H,4,8-10,19,21H2,1-3H3,(H,34,37)/b33-31+.

What are the key properties of N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide?

N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide has a molecular weight of 558.75 g/mol, XLogP of 6.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[N-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]propane-1-sulfonamide is sourced from PubChem (CID 91359666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).