N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

C17H29N5O3S — CID 20949540

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H29N5O3S/c1-2-21-8-6-7-15(21)11-18-16(23)12-20-13-17(19-14-20)26(24,25)22-9-4-3-5-10-22/h13-15H,2-12H2,1H3,(H,18,23)
InChIKeyJBCKEZLZBUMIMX-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.66
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20949540) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20949540
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H29N5O3S/c1-2-21-8-6-7-15(21)11-18-16(23)12-20-13-17(19-14-20)26(24,25)22-9-4-3-5-10-22/h13-15H,2-12H2,1H3,(H,18,23)
InChIKeyJBCKEZLZBUMIMX-UHFFFAOYSA-N
XLogP0.66
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20949540) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is CCN1CCCC1CNC(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is JBCKEZLZBUMIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-2-21-8-6-7-15(21)11-18-16(23)12-20-13-17(19-14-20)26(24,25)22-9-4-3-5-10-22/h13-15H,2-12H2,1H3,(H,18,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 383.52 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20949540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).