1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide

C25H31N3O4S — CID 122175082

IUPAC1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C25H31N3O4S/c1-19(29)28-16-13-21-18-22(11-12-24(21)28)33(31,32)26-23(17-20-9-5-4-6-10-20)25(30)27-14-7-2-3-8-15-27/h4-6,9-12,18,23,26H,2-3,7-8,13-17H2,1H3
InChIKeyRZOOHNYFZIRVRV-UHFFFAOYSA-N
MW469.61 g/mol
LogP2.89
Rot. Bonds6

About 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 122175082) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID122175082
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCCC3)ccc21
InChIInChI=1S/C25H31N3O4S/c1-19(29)28-16-13-21-18-22(11-12-24(21)28)33(31,32)26-23(17-20-9-5-4-6-10-20)25(30)27-14-7-2-3-8-15-27/h4-6,9-12,18,23,26H,2-3,7-8,13-17H2,1H3
InChIKeyRZOOHNYFZIRVRV-UHFFFAOYSA-N
XLogP2.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 20856180
3-[[(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-phenylpropanoyl]amino]benzoic acid
CID 92661593
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 92661556
1-acetyl-N-[4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 20856215
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-[2-(3-methylphenyl)ethyl]-3-phenylpropanamide
CID 20856198
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
4-methoxy-3-methyl-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30143745
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347324
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide (CID 122175082) is 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCCCCC3)ccc21.
What is the InChIKey of 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RZOOHNYFZIRVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19(29)28-16-13-21-18-22(11-12-24(21)28)33(31,32)26-23(17-20-9-5-4-6-10-20)25(30)27-14-7-2-3-8-15-27/h4-6,9-12,18,23,26H,2-3,7-8,13-17H2,1H3.
What are the key properties of 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 469.61 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 122175082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).