7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide

C27H32N4O3S — CID 11518831

IUPAC7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(C3Cc4cc(OCC5CCNCC5)ccc4N3S(=O)(=O)CC)cc2c1
InChIInChI=1S/C27H32N4O3S/c1-2-35(32,33)31-25-8-7-24(34-17-18-9-11-30-12-10-18)15-23(25)16-26(31)20-5-3-19-4-6-21(27(28)29)14-22(19)13-20/h3-8,13-15,18,26,30H,2,9-12,16-17H2,1H3,(H3,28,29)
InChIKeyXNCPQPXROPTDMO-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.96
Rot. Bonds7

About 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide

7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide (PubChem CID 11518831) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide
PubChem CID11518831
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(C3Cc4cc(OCC5CCNCC5)ccc4N3S(=O)(=O)CC)cc2c1
InChIInChI=1S/C27H32N4O3S/c1-2-35(32,33)31-25-8-7-24(34-17-18-9-11-30-12-10-18)15-23(25)16-26(31)20-5-3-19-4-6-21(27(28)29)14-22(19)13-20/h3-8,13-15,18,26,30H,2,9-12,16-17H2,1H3,(H3,28,29)
InChIKeyXNCPQPXROPTDMO-UHFFFAOYSA-N
XLogP3.96
TPSA108.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide (CID 11518831) is 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(C3Cc4cc(OCC5CCNCC5)ccc4N3S(=O)(=O)CC)cc2c1.
What is the InChIKey of 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide?
The InChIKey is XNCPQPXROPTDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-2-35(32,33)31-25-8-7-24(34-17-18-9-11-30-12-10-18)15-23(25)16-26(31)20-5-3-19-4-6-21(27(28)29)14-22(19)13-20/h3-8,13-15,18,26,30H,2,9-12,16-17H2,1H3,(H3,28,29).
What are the key properties of 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide?
7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide has a molecular weight of 492.65 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-ethylsulfonyl-5-(piperidin-4-ylmethoxy)-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide is sourced from PubChem (CID 11518831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).