1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H31N3O4S — CID 55511773

IUPAC1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCCN3CC(C)OC(C)C3)cc2CC1C
InChIInChI=1S/C20H31N3O4S/c1-14-10-18-11-19(6-7-20(18)23(14)17(4)24)28(25,26)21-8-5-9-22-12-15(2)27-16(3)13-22/h6-7,11,14-16,21H,5,8-10,12-13H2,1-4H3
InChIKeyHDKNCFQEMUZUCS-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.76
Rot. Bonds6

About 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55511773) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55511773
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCCN3CC(C)OC(C)C3)cc2CC1C
InChIInChI=1S/C20H31N3O4S/c1-14-10-18-11-19(6-7-20(18)23(14)17(4)24)28(25,26)21-8-5-9-22-12-15(2)27-16(3)13-22/h6-7,11,14-16,21H,5,8-10,12-13H2,1-4H3
InChIKeyHDKNCFQEMUZUCS-UHFFFAOYSA-N
XLogP1.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46353471
(2R)-1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 92875766
4-[[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 92863752
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
1-acetyl-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 55509064
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55511773) is 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)NCCCN3CC(C)OC(C)C3)cc2CC1C.
What is the InChIKey of 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HDKNCFQEMUZUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-14-10-18-11-19(6-7-20(18)23(14)17(4)24)28(25,26)21-8-5-9-22-12-15(2)27-16(3)13-22/h6-7,11,14-16,21H,5,8-10,12-13H2,1-4H3.
What are the key properties of 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 409.55 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55511773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).