3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

C21H31N3O4S — CID 20938142

IUPAC3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCN(CCCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1
InChIInChI=1S/C21H31N3O4S/c1-16-5-3-10-24(15-16)11-4-9-22-20(25)8-12-29(27,28)18-6-7-19-17(13-18)14-21(26)23(19)2/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H,22,25)
InChIKeyWXAJFWNYMZZYHZ-UHFFFAOYSA-N
MW421.56 g/mol
LogP1.61
Rot. Bonds8

About 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 20938142) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
PubChem CID20938142
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCN(CCCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1
InChIInChI=1S/C21H31N3O4S/c1-16-5-3-10-24(15-16)11-4-9-22-20(25)8-12-29(27,28)18-6-7-19-17(13-18)14-21(26)23(19)2/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H,22,25)
InChIKeyWXAJFWNYMZZYHZ-UHFFFAOYSA-N
XLogP1.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 51.61
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

N-[3-(3-methylpiperidin-1-yl)propyl]-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 46345267
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
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3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92686801
N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938219
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938090
N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938087
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55798765
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 125060384
N-[3-(3-methylpiperidin-1-yl)propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20876459
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (CID 20938142) is 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is CC1CCCN(CCCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1.
What is the InChIKey of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is WXAJFWNYMZZYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-16-5-3-10-24(15-16)11-4-9-22-20(25)8-12-29(27,28)18-6-7-19-17(13-18)14-21(26)23(19)2/h6-7,13,16H,3-5,8-12,14-15H2,1-2H3,(H,22,25).
What are the key properties of 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 421.56 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 20938142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).