2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C19H25N3O4S2 — CID 9036557

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3cccs3)CC2)cc1
InChIInChI=1S/C19H25N3O4S2/c1-26-16-4-6-18(7-5-16)28(24,25)22-12-10-21(11-13-22)15-19(23)20-9-8-17-3-2-14-27-17/h2-7,14H,8-13,15H2,1H3,(H,20,23)
InChIKeyOCMVZGBLQFCZEA-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.42
Rot. Bonds8

About 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 9036557) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID9036557
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3cccs3)CC2)cc1
InChIInChI=1S/C19H25N3O4S2/c1-26-16-4-6-18(7-5-16)28(24,25)22-12-10-21(11-13-22)15-19(23)20-9-8-17-3-2-14-27-17/h2-7,14H,8-13,15H2,1H3,(H,20,23)
InChIKeyOCMVZGBLQFCZEA-UHFFFAOYSA-N
XLogP1.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 9036557) is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3cccs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is OCMVZGBLQFCZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-26-16-4-6-18(7-5-16)28(24,25)22-12-10-21(11-13-22)15-19(23)20-9-8-17-3-2-14-27-17/h2-7,14H,8-13,15H2,1H3,(H,20,23).
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 9036557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).