N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide

C17H26N2O3S — CID 110299831

IUPACN-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCc1cccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-15-8-7-9-16(14-15)18-17(20)10-3-6-13-23(21,22)19-11-4-2-5-12-19/h7-9,14H,2-6,10-13H2,1H3,(H,18,20)
InChIKeyCALGOTTWBHXVMX-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.92
Rot. Bonds7

About N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide

N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299831) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299831
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCc1cccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-15-8-7-9-16(14-15)18-17(20)10-3-6-13-23(21,22)19-11-4-2-5-12-19/h7-9,14H,2-6,10-13H2,1H3,(H,18,20)
InChIKeyCALGOTTWBHXVMX-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836
5-piperidin-1-ylsulfonyl-N-(4-propan-2-ylphenyl)pentanamide
CID 110299847
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
N-[4-(dimethylamino)phenyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299885
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)propanamide
CID 110342760
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide (CID 110299831) is N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide is Cc1cccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is CALGOTTWBHXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15-8-7-9-16(14-15)18-17(20)10-3-6-13-23(21,22)19-11-4-2-5-12-19/h7-9,14H,2-6,10-13H2,1H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 338.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).