N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide

C15H16ClNO3S2 — CID 2820311

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1
InChIInChI=1S/C15H16ClNO3S2/c1-12(18)17(11-14-3-2-9-21-14)8-10-22(19,20)15-6-4-13(16)5-7-15/h2-7,9H,8,10-11H2,1H3
InChIKeyQDEUSARICZCZCS-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide

N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2820311) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2820311
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1
InChIInChI=1S/C15H16ClNO3S2/c1-12(18)17(11-14-3-2-9-21-14)8-10-22(19,20)15-6-4-13(16)5-7-15/h2-7,9H,8,10-11H2,1H3
InChIKeyQDEUSARICZCZCS-UHFFFAOYSA-N
XLogP3.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2820311) is N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide is CC(=O)N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QDEUSARICZCZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c1-12(18)17(11-14-3-2-9-21-14)8-10-22(19,20)15-6-4-13(16)5-7-15/h2-7,9H,8,10-11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.88 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2820311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).