N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide

C18H28N2O3S — CID 110299836

IUPACN-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCc1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O3S/c1-15-9-10-17(16(2)14-15)19-18(21)8-4-7-13-24(22,23)20-11-5-3-6-12-20/h9-10,14H,3-8,11-13H2,1-2H3,(H,19,21)
InChIKeyKRSYCKDMWQQRAE-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.23
Rot. Bonds7

About N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide

N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110299836) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110299836
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
SMILESCc1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O3S/c1-15-9-10-17(16(2)14-15)19-18(21)8-4-7-13-24(22,23)20-11-5-3-6-12-20/h9-10,14H,3-8,11-13H2,1-2H3,(H,19,21)
InChIKeyKRSYCKDMWQQRAE-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.23
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-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299831
N-(5-amino-2-methylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120568084
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
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
N-(2-iodophenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844619
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321445
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide (CID 110299836) is N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide is Cc1ccc(NC(=O)CCCCS(=O)(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is KRSYCKDMWQQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-9-10-17(16(2)14-15)19-18(21)8-4-7-13-24(22,23)20-11-5-3-6-12-20/h9-10,14H,3-8,11-13H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide?
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 352.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110299836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).