N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide

C28H33N3O3S — CID 67570935

IUPACN-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide
SMILESCCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1
InChIInChI=1S/C28H33N3O3S/c1-3-19(2)35(33,34)27-10-5-4-9-23(27)28(32)30-21-11-12-26-24(17-21)25(18-29-26)20-13-15-31-14-7-6-8-22(31)16-20/h4-5,9-13,17-19,22,29H,3,6-8,14-16H2,1-2H3,(H,30,32)
InChIKeySBQDCFRCJNTFHE-UHFFFAOYSA-N
MW491.66 g/mol
LogP5.63
Rot. Bonds6

About N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide

N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide (PubChem CID 67570935) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide
PubChem CID67570935
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide
SMILESCCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1
InChIInChI=1S/C28H33N3O3S/c1-3-19(2)35(33,34)27-10-5-4-9-23(27)28(32)30-21-11-12-26-24(17-21)25(18-29-26)20-13-15-31-14-7-6-8-22(31)16-20/h4-5,9-13,17-19,22,29H,3,6-8,14-16H2,1-2H3,(H,30,32)
InChIKeySBQDCFRCJNTFHE-UHFFFAOYSA-N
XLogP5.63
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide 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

N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-fluorobenzamide
CID 15389763
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1-butyl-1-phenylurea
CID 54394024
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
CID 54246048
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-1,1-diphenylthiourea
CID 57305851
[3-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-1H-indol-5-yl]-phenylmethanone
CID 20585154
1-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-3-(2,4-diiodophenyl)thiourea
CID 54427163
3-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-butyl-1-propylurea
CID 67570741
3-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1,1-dipropylurea
CID 67570374
1-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-(4-bromo-3-chlorophenyl)urea
CID 67570700
N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide
CID 158913056
3-[3-(1,2,3,4,6,9,10,10a-octahydropyrido[1,2-a]azepin-8-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-butyl-1-propan-2-ylurea
CID 67674675
5-[(8aR)-1,2,3,5,8,8a-hexahydroindolizin-7-yl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 15546220

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide?
The IUPAC name of N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide (CID 67570935) is N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide is CCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1.
What is the InChIKey of N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide?
The InChIKey is SBQDCFRCJNTFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-3-19(2)35(33,34)27-10-5-4-9-23(27)28(32)30-21-11-12-26-24(17-21)25(18-29-26)20-13-15-31-14-7-6-8-22(31)16-20/h4-5,9-13,17-19,22,29H,3,6-8,14-16H2,1-2H3,(H,30,32).
What are the key properties of N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide?
N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide has a molecular weight of 491.66 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6,7,8,9,9a-hexahydro-1H-quinolizin-2-yl)-1H-indol-5-yl]-2-butan-2-ylsulfonylbenzamide is sourced from PubChem (CID 67570935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).