N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide

C26H32N4O2S — CID 30578797

IUPACN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN1CCN([C@@H](CNS(=O)(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C26H32N4O2S/c1-28-14-16-30(17-15-28)25(21-10-11-24-22(18-21)12-13-29(24)2)19-27-33(31,32)26-9-5-7-20-6-3-4-8-23(20)26/h3-11,18,25,27H,12-17,19H2,1-2H3/t25-/m0/s1
InChIKeyXHMMALANHTVKBZ-VWLOTQADSA-N
MW464.64 g/mol
LogP3.10
Rot. Bonds6

About N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide

N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 30578797) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID30578797
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN1CCN([C@@H](CNS(=O)(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C26H32N4O2S/c1-28-14-16-30(17-15-28)25(21-10-11-24-22(18-21)12-13-29(24)2)19-27-33(31,32)26-9-5-7-20-6-3-4-8-23(20)26/h3-11,18,25,27H,12-17,19H2,1-2H3/t25-/m0/s1
InChIKeyXHMMALANHTVKBZ-VWLOTQADSA-N
XLogP3.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578677
2,4-dimethyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578732
4-methoxy-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16907810
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide
CID 16907075
4-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16907906
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
4-fluoro-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 40828975
N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 30578465
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 16907404
4-fluoro-3-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 16907640
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 43957175
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide (CID 30578797) is N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide is CN1CCN([C@@H](CNS(=O)(=O)c2cccc3ccccc23)c2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is XHMMALANHTVKBZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-28-14-16-30(17-15-28)25(21-10-11-24-22(18-21)12-13-29(24)2)19-27-33(31,32)26-9-5-7-20-6-3-4-8-23(20)26/h3-11,18,25,27H,12-17,19H2,1-2H3/t25-/m0/s1.
What are the key properties of N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide?
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 464.64 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 30578797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).