(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C15H18N2O3S3 — CID 17217513

IUPAC(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cs1
InChIInChI=1S/C15H18N2O3S3/c1-2-13-10-12(11-22-13)15(18)16-5-7-17(8-6-16)23(19,20)14-4-3-9-21-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeySGZJKHNYYOLVAX-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.52
Rot. Bonds4

About (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 17217513) has the molecular formula C15H18N2O3S3 and a molecular weight of 370.52 g/mol. Its IUPAC name is (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID17217513
Molecular FormulaC15H18N2O3S3
Molecular Weight370.52 g/mol
Exact Mass370.05
IUPAC Name(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cs1
InChIInChI=1S/C15H18N2O3S3/c1-2-13-10-12(11-22-13)15(18)16-5-7-17(8-6-16)23(19,20)14-4-3-9-21-14/h3-4,9-11H,2,5-8H2,1H3
InChIKeySGZJKHNYYOLVAX-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 17191263
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17410586
N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4785102
(4,5-dimethylthiophen-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17024355
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 17217513) is (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is CCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cs1.
What is the InChIKey of (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is SGZJKHNYYOLVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S3/c1-2-13-10-12(11-22-13)15(18)16-5-7-17(8-6-16)23(19,20)14-4-3-9-21-14/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 17217513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).