N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C19H26N4O3S — CID 6463123

IUPACN-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1
InChIInChI=1S/C19H26N4O3S/c1-16-3-5-18(6-4-16)27(25,26)23-12-7-17(8-13-23)19(24)21-9-2-11-22-14-10-20-15-22/h3-6,10,14-15,17H,2,7-9,11-13H2,1H3,(H,21,24)
InChIKeySWGGCBOSGSJNFA-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.80
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 6463123) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID6463123
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1
InChIInChI=1S/C19H26N4O3S/c1-16-3-5-18(6-4-16)27(25,26)23-12-7-17(8-13-23)19(24)21-9-2-11-22-14-10-20-15-22/h3-6,10,14-15,17H,2,7-9,11-13H2,1H3,(H,21,24)
InChIKeySWGGCBOSGSJNFA-UHFFFAOYSA-N
XLogP1.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.80
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

3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6493524
US8980932, 4b (DH304)
CID 57413827
US8980932, 4c (DH305)
CID 57413828
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-4-sulfonamide
CID 3240199
N-{2-[benzyl(methyl)amino]ethyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3240457
4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-[3-(1-imidazolyl)propyl]benzamide
CID 3959870
1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine
CID 4784720
3-(benzylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4879342
2-(1-Methylimidazol-2-yl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 4881938
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 5307129

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 6463123) is N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SWGGCBOSGSJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-16-3-5-18(6-4-16)27(25,26)23-12-7-17(8-13-23)19(24)21-9-2-11-22-14-10-20-15-22/h3-6,10,14-15,17H,2,7-9,11-13H2,1H3,(H,21,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6463123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).