2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C25H31N3O4S — CID 30559058

IUPAC2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)NCCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C25H31N3O4S/c1-20-7-2-3-8-21(20)19-33(30,31)24-17-28(23-10-5-4-9-22(23)24)18-25(29)26-11-6-12-27-13-15-32-16-14-27/h2-5,7-10,17H,6,11-16,18-19H2,1H3,(H,26,29)
InChIKeyMJKODNCIQRZBHV-UHFFFAOYSA-N
MW469.61 g/mol
LogP2.76
Rot. Bonds9

About 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 30559058) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID30559058
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1ccccc1CS(=O)(=O)c1cn(CC(=O)NCCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C25H31N3O4S/c1-20-7-2-3-8-21(20)19-33(30,31)24-17-28(23-10-5-4-9-22(23)24)18-25(29)26-11-6-12-27-13-15-32-16-14-27/h2-5,7-10,17H,6,11-16,18-19H2,1H3,(H,26,29)
InChIKeyMJKODNCIQRZBHV-UHFFFAOYSA-N
XLogP2.76
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide 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

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
N-[(4-fluorophenyl)methyl]-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559089
2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
N-butyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559422
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367
N-(3,4-difluorophenyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559201
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 47049412
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673
2-(3-benzylsulfonylindol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 30558655

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 30559058) is 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1ccccc1CS(=O)(=O)c1cn(CC(=O)NCCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is MJKODNCIQRZBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-20-7-2-3-8-21(20)19-33(30,31)24-17-28(23-10-5-4-9-22(23)24)18-25(29)26-11-6-12-27-13-15-32-16-14-27/h2-5,7-10,17H,6,11-16,18-19H2,1H3,(H,26,29).
What are the key properties of 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 30559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).