2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H21ClN2O3S2 — CID 16836971

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C18H21ClN2O3S2/c19-14-6-8-17(9-7-14)26(23,24)21-10-2-1-4-15(21)12-18(22)20-13-16-5-3-11-25-16/h3,5-9,11,15H,1-2,4,10,12-13H2,(H,20,22)
InChIKeyKGPSDNHIVLGAQG-UHFFFAOYSA-N
MW412.96 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16836971) has the molecular formula C18H21ClN2O3S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16836971
Molecular FormulaC18H21ClN2O3S2
Molecular Weight412.96 g/mol
Exact Mass412.07
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C18H21ClN2O3S2/c19-14-6-8-17(9-7-14)26(23,24)21-10-2-1-4-15(21)12-18(22)20-13-16-5-3-11-25-16/h3,5-9,11,15H,1-2,4,10,12-13H2,(H,20,22)
InChIKeyKGPSDNHIVLGAQG-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 16836971) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1cccs1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KGPSDNHIVLGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S2/c19-14-6-8-17(9-7-14)26(23,24)21-10-2-1-4-15(21)12-18(22)20-13-16-5-3-11-25-16/h3,5-9,11,15H,1-2,4,10,12-13H2,(H,20,22).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 412.96 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16836971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).