4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide

C18H29N3O3S — CID 20628957

IUPAC4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-5-15-6-8-16(9-7-15)19-18(22)21-12-10-17(11-13-21)20-25(23,24)14(2)3/h6-9,14,17,20H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyOEDIMEKBPOYMCS-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.96
Rot. Bonds6

About 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide

4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide (PubChem CID 20628957) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
PubChem CID20628957
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-5-15-6-8-16(9-7-15)19-18(22)21-12-10-17(11-13-21)20-25(23,24)14(2)3/h6-9,14,17,20H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyOEDIMEKBPOYMCS-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630279
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628885
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630265
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-ethylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-phenylpiperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 159835989

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide (CID 20628957) is 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide is CCCc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1.
What is the InChIKey of 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide?
The InChIKey is OEDIMEKBPOYMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-5-15-6-8-16(9-7-15)19-18(22)21-12-10-17(11-13-21)20-25(23,24)14(2)3/h6-9,14,17,20H,4-5,10-13H2,1-3H3,(H,19,22).
What are the key properties of 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide?
4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 20628957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).