N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C14H22N4O3S — CID 20947086

IUPACN-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NC1CCCC1
InChIInChI=1S/C14H22N4O3S/c19-13(16-12-5-1-2-6-12)9-17-10-14(15-11-17)22(20,21)18-7-3-4-8-18/h10-12H,1-9H2,(H,16,19)
InChIKeyLZXHRFHJHICHIC-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.73
Rot. Bonds5

About N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20947086) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20947086
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NC1CCCC1
InChIInChI=1S/C14H22N4O3S/c19-13(16-12-5-1-2-6-12)9-17-10-14(15-11-17)22(20,21)18-7-3-4-8-18/h10-12H,1-9H2,(H,16,19)
InChIKeyLZXHRFHJHICHIC-UHFFFAOYSA-N
XLogP0.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20947086) is N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is LZXHRFHJHICHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c19-13(16-12-5-1-2-6-12)9-17-10-14(15-11-17)22(20,21)18-7-3-4-8-18/h10-12H,1-9H2,(H,16,19).
What are the key properties of N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20947086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).