1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide

C23H32BrN3O4S — CID 46247272

IUPAC1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCCC(C(=O)NC4CCCCC4)C3)cc21
InChIInChI=1S/C23H32BrN3O4S/c1-2-22(28)27-12-10-16-13-19(24)21(14-20(16)27)32(30,31)26-11-6-7-17(15-26)23(29)25-18-8-4-3-5-9-18/h13-14,17-18H,2-12,15H2,1H3,(H,25,29)
InChIKeyFUFYFWLOTHOSOW-UHFFFAOYSA-N
MW526.50 g/mol
LogP3.60
Rot. Bonds5

About 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide

1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 46247272) has the molecular formula C23H32BrN3O4S and a molecular weight of 526.50 g/mol. Its IUPAC name is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
PubChem CID46247272
Molecular FormulaC23H32BrN3O4S
Molecular Weight526.50 g/mol
Exact Mass525.13
IUPAC Name1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCCC(C(=O)NC4CCCCC4)C3)cc21
InChIInChI=1S/C23H32BrN3O4S/c1-2-22(28)27-12-10-16-13-19(24)21(14-20(16)27)32(30,31)26-11-6-7-17(15-26)23(29)25-18-8-4-3-5-9-18/h13-14,17-18H,2-12,15H2,1H3,(H,25,29)
InChIKeyFUFYFWLOTHOSOW-UHFFFAOYSA-N
XLogP3.60
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 98366085
(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidine-3-carboxamide
CID 98366039
(3R)-N-(4-bromo-2-methylphenyl)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 98366097
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 46247317
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 98366065
ethyl 4-[[1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 46247289
ethyl 4-[[(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 98371968
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 98366060
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 98371978
ethyl 3-[[1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 46247276
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46247217
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 98193982

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide (CID 46247272) is 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide is CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCCC(C(=O)NC4CCCCC4)C3)cc21.
What is the InChIKey of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is FUFYFWLOTHOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32BrN3O4S/c1-2-22(28)27-12-10-16-13-19(24)21(14-20(16)27)32(30,31)26-11-6-7-17(15-26)23(29)25-18-8-4-3-5-9-18/h13-14,17-18H,2-12,15H2,1H3,(H,25,29).
What are the key properties of 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 526.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 46247272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).