N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C20H28N4O3S — CID 53085589

IUPACN-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c1
InChIInChI=1S/C20H28N4O3S/c1-4-16-6-5-7-18(12-16)22-20(25)17-8-10-24(11-9-17)28(26,27)19-13-23(14-21-19)15(2)3/h5-7,12-15,17H,4,8-11H2,1-3H3,(H,22,25)
InChIKeyYCPUMCHVSNAEAP-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.07
Rot. Bonds6

About N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 53085589) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID53085589
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c1
InChIInChI=1S/C20H28N4O3S/c1-4-16-6-5-7-18(12-16)22-20(25)17-8-10-24(11-9-17)28(26,27)19-13-23(14-21-19)15(2)3/h5-7,12-15,17H,4,8-11H2,1-3H3,(H,22,25)
InChIKeyYCPUMCHVSNAEAP-UHFFFAOYSA-N
XLogP3.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 53085589) is N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YCPUMCHVSNAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-4-16-6-5-7-18(12-16)22-20(25)17-8-10-24(11-9-17)28(26,27)19-13-23(14-21-19)15(2)3/h5-7,12-15,17H,4,8-11H2,1-3H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53085589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).