N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide

About N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide

N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide (PubChem CID 91136238) has the molecular formula C29H32N4O3S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name	N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide
PubChem CID	91136238
Molecular Formula	C29H32N4O3S
Molecular Weight	516.67 g/mol
Exact Mass	516.22
IUPAC Name	N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide
SMILES	CC1CCN(Cc2ccc(/N=C(\c3ccccc3)C3C(=O)Nc4ccc(NS(C)(=O)=O)cc43)cc2)CC1
InChI	InChI=1S/C29H32N4O3S/c1-20-14-16-33(17-15-20)19-21-8-10-23(11-9-21)30-28(22-6-4-3-5-7-22)27-25-18-24(32-37(2,35)36)12-13-26(25)31-29(27)34/h3-13,18,20,27,32H,14-17,19H2,1-2H3,(H,31,34)/b30-28+
InChIKey	OMHAFXQTNDVKTQ-SJCQXOIGSA-N
XLogP	5.15
TPSA	90.87 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	5.15
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-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide?

The IUPAC name of N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide (CID 91136238) is N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide.

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

The canonical SMILES for N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide is CC1CCN(Cc2ccc(/N=C(\c3ccccc3)C3C(=O)Nc4ccc(NS(C)(=O)=O)cc43)cc2)CC1.

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

The InChIKey is OMHAFXQTNDVKTQ-SJCQXOIGSA-N. The full InChI is InChI=1S/C29H32N4O3S/c1-20-14-16-33(17-15-20)19-21-8-10-23(11-9-21)30-28(22-6-4-3-5-7-22)27-25-18-24(32-37(2,35)36)12-13-26(25)31-29(27)34/h3-13,18,20,27,32H,14-17,19H2,1-2H3,(H,31,34)/b30-28+.

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

N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide has a molecular weight of 516.67 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]methanesulfonamide is sourced from PubChem (CID 91136238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).