N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide

C17H27N3O3S — CID 47032203

IUPACN-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(CC)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-13-24(22,23)19-16-9-11-20(12-10-16)17(21)18-15-7-5-14(4-2)6-8-15/h5-8,16,19H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyPNRUWMKDIAAAFT-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.57
Rot. Bonds6

About N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide

N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide (PubChem CID 47032203) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
PubChem CID47032203
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(CC)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-3-13-24(22,23)19-16-9-11-20(12-10-16)17(21)18-15-7-5-14(4-2)6-8-15/h5-8,16,19H,3-4,9-13H2,1-2H3,(H,18,21)
InChIKeyPNRUWMKDIAAAFT-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 20628957
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
N-(1,3-benzodioxol-5-ylmethyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38268339
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-(2-fluorophenyl)-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 51108800
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
N-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 78867540

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide (CID 47032203) is N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide is CCCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(CC)cc2)CC1.
What is the InChIKey of N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is PNRUWMKDIAAAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-13-24(22,23)19-16-9-11-20(12-10-16)17(21)18-15-7-5-14(4-2)6-8-15/h5-8,16,19H,3-4,9-13H2,1-2H3,(H,18,21).
What are the key properties of N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide?
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 47032203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).