N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

C20H29N5O3S — CID 3242361

IUPACN-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1ccccc1
InChIInChI=1S/C20H29N5O3S/c1-2-24(18-7-4-3-5-8-18)12-6-11-22-20(26)17-9-13-25(14-10-17)29(27,28)19-15-21-16-23-19/h3-5,7-8,15-17H,2,6,9-14H2,1H3,(H,21,23)(H,22,26)
InChIKeyMOYYQLWAGVHAIK-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.84
Rot. Bonds9

About N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide

N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 3242361) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID3242361
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1ccccc1
InChIInChI=1S/C20H29N5O3S/c1-2-24(18-7-4-3-5-8-18)12-6-11-22-20(26)17-9-13-25(14-10-17)29(27,28)19-15-21-16-23-19/h3-5,7-8,15-17H,2,6,9-14H2,1H3,(H,21,23)(H,22,26)
InChIKeyMOYYQLWAGVHAIK-UHFFFAOYSA-N
XLogP1.84
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
N-(3,5-dimethylphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 3238319
N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methyl-N~1~-(3-methylphenyl)glycinamide
CID 3238708
[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
2-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3243024
N-(4-{[(2-imidazol-4-ylethyl)amino]sulfonyl}phenyl)acetamide
CID 4130651
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
1-(1H-imidazol-5-ylsulfonyl)-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 5307476

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 3242361) is N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is MOYYQLWAGVHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-2-24(18-7-4-3-5-8-18)12-6-11-22-20(26)17-9-13-25(14-10-17)29(27,28)19-15-21-16-23-19/h3-5,7-8,15-17H,2,6,9-14H2,1H3,(H,21,23)(H,22,26).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).