1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide

C18H24N4O3S — CID 5307476

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C18H24N4O3S/c1-14-4-2-5-15(10-14)7-8-20-18(23)16-6-3-9-22(12-16)26(24,25)17-11-19-13-21-17/h2,4-5,10-11,13,16H,3,6-9,12H2,1H3,(H,19,21)(H,20,23)
InChIKeyQNFKSBCQOIEINA-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.48
Rot. Bonds6

About 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 5307476) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID5307476
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C18H24N4O3S/c1-14-4-2-5-15(10-14)7-8-20-18(23)16-6-3-9-22(12-16)26(24,25)17-11-19-13-21-17/h2,4-5,10-11,13,16H,3,6-9,12H2,1H3,(H,19,21)(H,20,23)
InChIKeyQNFKSBCQOIEINA-UHFFFAOYSA-N
XLogP1.48
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-1H-imidazole-4-sulfonamide
CID 3236770
[1-(1H-imidazol-4-ylsulfonyl)-3-piperidyl][3-methyl-4-(3-methylphenyl)piperazino]methanone
CID 3239840
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
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3241696
N-{3-[ethyl(phenyl)amino]propyl}-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242361
2-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3243024
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 5307129
(4-benzylpiperazin-1-yl)-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]methanone
CID 5307287
N-{3-[Ethyl(phenyl)amino]propyl}-1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxamide
CID 5307655
1-(1H-imidazol-5-ylsulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 5308284
1-(1H-imidazol-5-ylsulfonyl)-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 5308384

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide (CID 5307476) is 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is QNFKSBCQOIEINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-4-2-5-15(10-14)7-8-20-18(23)16-6-3-9-22(12-16)26(24,25)17-11-19-13-21-17/h2,4-5,10-11,13,16H,3,6-9,12H2,1H3,(H,19,21)(H,20,23).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 5307476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).