3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide

C18H25N5O3S — CID 67312986

IUPAC3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide
SMILESCCS(=O)(=O)c1cn(C(CC2CCCC2)C(=O)Nc2cnc(C)cn2)cn1
InChIInChI=1S/C18H25N5O3S/c1-3-27(25,26)17-11-23(12-21-17)15(8-14-6-4-5-7-14)18(24)22-16-10-19-13(2)9-20-16/h9-12,14-15H,3-8H2,1-2H3,(H,20,22,24)
InChIKeyIMVHWFMWVULNML-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.54
Rot. Bonds7

About 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide

3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide (PubChem CID 67312986) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide
PubChem CID67312986
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide
SMILESCCS(=O)(=O)c1cn(C(CC2CCCC2)C(=O)Nc2cnc(C)cn2)cn1
InChIInChI=1S/C18H25N5O3S/c1-3-27(25,26)17-11-23(12-21-17)15(8-14-6-4-5-7-14)18(24)22-16-10-19-13(2)9-20-16/h9-12,14-15H,3-8H2,1-2H3,(H,20,22,24)
InChIKeyIMVHWFMWVULNML-UHFFFAOYSA-N
XLogP2.54
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methylpyrazin-2-yl)-2-(4-methylsulfonylimidazol-1-yl)propanamide
CID 67134290
methyl 3-cyclopentyl-2-(4-methylsulfonylimidazol-1-yl)propanoate
CID 67314595
[1-[(2S)-3-cyclopentyl-1-[(5-methylpyrazin-2-yl)amino]-1-oxopropan-2-yl]-1,2,4-triazol-3-yl]methanesulfinate
CID 174624118
3-cyclopentyl-2-[4-(dimethylsulfamoyl)imidazol-1-yl]propanoic acid
CID 67314454
6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]-2-methylpyridine-3-carboxylic acid
CID 71080363
(2S)-N-(5-methyl-2-pyridinyl)-3-(oxan-4-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 46181747
3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 67314173
2-hydroxy-N-(5-methylpyrazin-2-yl)propanamide
CID 122677881
[1-[(2S)-3-cyclopentyl-1-oxo-1-[(5-phenylmethoxycarbonyl-2-pyridinyl)amino]propan-2-yl]imidazol-4-yl]methanesulfinic acid
CID 174637347
(2S)-N-(1-benzylpyrazol-3-yl)-3-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)propanamide
CID 67313972
N-(5-methylpyrazin-2-yl)hexanamide
CID 59059045
methyl 3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 67130816

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide (CID 67312986) is 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide is CCS(=O)(=O)c1cn(C(CC2CCCC2)C(=O)Nc2cnc(C)cn2)cn1.
What is the InChIKey of 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide?
The InChIKey is IMVHWFMWVULNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-27(25,26)17-11-23(12-21-17)15(8-14-6-4-5-7-14)18(24)22-16-10-19-13(2)9-20-16/h9-12,14-15H,3-8H2,1-2H3,(H,20,22,24).
What are the key properties of 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide?
3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide has a molecular weight of 391.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-ethylsulfonylimidazol-1-yl)-N-(5-methylpyrazin-2-yl)propanamide is sourced from PubChem (CID 67312986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).