N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

C19H23ClN2O3S2 — CID 26562537

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S2/c20-16-8-6-15(7-9-16)10-11-21-18(23)14-17-4-1-2-12-22(17)27(24,25)19-5-3-13-26-19/h3,5-9,13,17H,1-2,4,10-12,14H2,(H,21,23)/t17-/m1/s1
InChIKeyTXDZRFYJLBXREJ-QGZVFWFLSA-N
MW426.99 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (PubChem CID 26562537) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
PubChem CID26562537
Molecular FormulaC19H23ClN2O3S2
Molecular Weight426.99 g/mol
Exact Mass426.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESO=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S2/c20-16-8-6-15(7-9-16)10-11-21-18(23)14-17-4-1-2-12-22(17)27(24,25)19-5-3-13-26-19/h3,5-9,13,17H,1-2,4,10-12,14H2,(H,21,23)/t17-/m1/s1
InChIKeyTXDZRFYJLBXREJ-QGZVFWFLSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (CID 26562537) is N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The InChIKey is TXDZRFYJLBXREJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c20-16-8-6-15(7-9-16)10-11-21-18(23)14-17-4-1-2-12-22(17)27(24,25)19-5-3-13-26-19/h3,5-9,13,17H,1-2,4,10-12,14H2,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide has a molecular weight of 426.99 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 26562537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).