4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one

C16H18N2O3S2 — CID 110644637

IUPAC4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)s1
InChIInChI=1S/C16H18N2O3S2/c1-2-13-8-9-14(22-13)23(20,21)18-11-10-17-16(19)15(18)12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3,(H,17,19)
InChIKeyYSZUMZKJJBDHHR-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.17
Rot. Bonds4

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

4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one (PubChem CID 110644637) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
PubChem CID110644637
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)s1
InChIInChI=1S/C16H18N2O3S2/c1-2-13-8-9-14(22-13)23(20,21)18-11-10-17-16(19)15(18)12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3,(H,17,19)
InChIKeyYSZUMZKJJBDHHR-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.17
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-phenylpiperazin-2-one?
The IUPAC name of 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one (CID 110644637) is 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one is CCc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one?
The InChIKey is YSZUMZKJJBDHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-2-13-8-9-14(22-13)23(20,21)18-11-10-17-16(19)15(18)12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one?
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one has a molecular weight of 350.47 g/mol, XLogP of 2.17, 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-phenylpiperazin-2-one is sourced from PubChem (CID 110644637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).