N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide

C24H32N4O4S — CID 16907748

IUPACN-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1
InChIInChI=1S/C24H32N4O4S/c1-17-14-21(26-18(2)29)5-7-24(17)33(30,31)25-16-23(28-10-12-32-13-11-28)19-4-6-22-20(15-19)8-9-27(22)3/h4-7,14-15,23,25H,8-13,16H2,1-3H3,(H,26,29)
InChIKeyFOVFLCXTBIENCA-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.30
Rot. Bonds7

About N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide

N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide (PubChem CID 16907748) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide
PubChem CID16907748
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1
InChIInChI=1S/C24H32N4O4S/c1-17-14-21(26-18(2)29)5-7-24(17)33(30,31)25-16-23(28-10-12-32-13-11-28)19-4-6-22-20(15-19)8-9-27(22)3/h4-7,14-15,23,25H,8-13,16H2,1-3H3,(H,26,29)
InChIKeyFOVFLCXTBIENCA-UHFFFAOYSA-N
XLogP2.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907251
2,5-difluoro-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 16907692
2,4-dimethyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30578732
2-methoxy-4,5-dimethyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578352
2,5-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578468
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30578528
3,4-dimethoxy-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578479
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578331
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
4-tert-butyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575716

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide (CID 16907748) is N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCN3C)N2CCOCC2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is FOVFLCXTBIENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-17-14-21(26-18(2)29)5-7-24(17)33(30,31)25-16-23(28-10-12-32-13-11-28)19-4-6-22-20(15-19)8-9-27(22)3/h4-7,14-15,23,25H,8-13,16H2,1-3H3,(H,26,29).
What are the key properties of N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide?
N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16907748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).