4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one

C17H20N2O3S2 — CID 110657636

IUPAC4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2cccc(C)c2)s1
InChIInChI=1S/C17H20N2O3S2/c1-3-14-7-8-15(23-14)24(21,22)19-10-9-18-17(20)16(19)13-6-4-5-12(2)11-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,20)
InChIKeyUPTQSZOPTDNXRI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.48
Rot. Bonds4

About 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one

4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one (PubChem CID 110657636) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
PubChem CID110657636
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2cccc(C)c2)s1
InChIInChI=1S/C17H20N2O3S2/c1-3-14-7-8-15(23-14)24(21,22)19-10-9-18-17(20)16(19)13-6-4-5-12(2)11-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,20)
InChIKeyUPTQSZOPTDNXRI-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one (CID 110657636) is 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one is CCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2cccc(C)c2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
The InChIKey is UPTQSZOPTDNXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-3-14-7-8-15(23-14)24(21,22)19-10-9-18-17(20)16(19)13-6-4-5-12(2)11-13/h4-8,11,16H,3,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one?
4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one has a molecular weight of 364.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)sulfonyl-3-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).