2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide

C14H21ClN2O3S2 — CID 53118959

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2O3S2/c1-10(2)16-13(18)9-11-5-7-17(8-6-11)22(19,20)14-4-3-12(15)21-14/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)
InChIKeyICSVZFDUEWXUIX-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 53118959) has the molecular formula C14H21ClN2O3S2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide
PubChem CID53118959
Molecular FormulaC14H21ClN2O3S2
Molecular Weight364.92 g/mol
Exact Mass364.07
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2O3S2/c1-10(2)16-13(18)9-11-5-7-17(8-6-11)22(19,20)14-4-3-12(15)21-14/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)
InChIKeyICSVZFDUEWXUIX-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide (CID 53118959) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is ICSVZFDUEWXUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S2/c1-10(2)16-13(18)9-11-5-7-17(8-6-11)22(19,20)14-4-3-12(15)21-14/h3-4,10-11H,5-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide?
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 364.92 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53118959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).