N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

C20H28N4O4S — CID 20949589

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C20H28N4O4S/c25-20(24(17-7-2-3-8-17)13-18-9-6-12-28-18)15-22-14-19(21-16-22)29(26,27)23-10-4-1-5-11-23/h6,9,12,14,16-17H,1-5,7-8,10-11,13,15H2
InChIKeyHFENEFAEAPXEQY-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.62
Rot. Bonds7

About N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20949589) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20949589
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C20H28N4O4S/c25-20(24(17-7-2-3-8-17)13-18-9-6-12-28-18)15-22-14-19(21-16-22)29(26,27)23-10-4-1-5-11-23/h6,9,12,14,16-17H,1-5,7-8,10-11,13,15H2
InChIKeyHFENEFAEAPXEQY-UHFFFAOYSA-N
XLogP2.62
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947146
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95073316
methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
CID 20969620
N-cyclopropyl-N-(furan-2-ylmethyl)-2-piperazin-1-ylacetamide
CID 54944898
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
2-(3-aminopyrazol-1-yl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 62113726
N-(furan-2-ylmethyl)-N-methyl-2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 131643858
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2559812
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20949589) is N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is HFENEFAEAPXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-20(24(17-7-2-3-8-17)13-18-9-6-12-28-18)15-22-14-19(21-16-22)29(26,27)23-10-4-1-5-11-23/h6,9,12,14,16-17H,1-5,7-8,10-11,13,15H2.
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20949589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).