N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H30N4O3S — CID 5307411

IUPACN-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H30N4O3S/c1-3-5-7-14(4-2)10-19-17(22)15-8-6-9-21(12-15)25(23,24)16-11-18-13-20-16/h11,13-15H,3-10,12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyHPEPPKGEDKLHCI-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.14
Rot. Bonds9

About N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5307411) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5307411
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC NameN-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H30N4O3S/c1-3-5-7-14(4-2)10-19-17(22)15-8-6-9-21(12-15)25(23,24)16-11-18-13-20-16/h11,13-15H,3-10,12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyHPEPPKGEDKLHCI-UHFFFAOYSA-N
XLogP2.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5307411) is N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is CCCCC(CC)CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is HPEPPKGEDKLHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-3-5-7-14(4-2)10-19-17(22)15-8-6-9-21(12-15)25(23,24)16-11-18-13-20-16/h11,13-15H,3-10,12H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5307411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).