1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

C20H25N3O6S3 — CID 137331344

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O6S3/c24-19(16-17-6-7-20(30-17)32(27,28)23-12-14-29-15-13-23)21-8-10-22(11-9-21)31(25,26)18-4-2-1-3-5-18/h1-7H,8-16H2
InChIKeyZUSPFXWRBGKFRQ-UHFFFAOYSA-N
MW499.64 g/mol
LogP0.84
Rot. Bonds6

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (PubChem CID 137331344) has the molecular formula C20H25N3O6S3 and a molecular weight of 499.64 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
PubChem CID137331344
Molecular FormulaC20H25N3O6S3
Molecular Weight499.64 g/mol
Exact Mass499.09
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O6S3/c24-19(16-17-6-7-20(30-17)32(27,28)23-12-14-29-15-13-23)21-8-10-22(11-9-21)31(25,26)18-4-2-1-3-5-18/h1-7H,8-16H2
InChIKeyZUSPFXWRBGKFRQ-UHFFFAOYSA-N
XLogP0.84
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone (CID 137331344) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
The InChIKey is ZUSPFXWRBGKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S3/c24-19(16-17-6-7-20(30-17)32(27,28)23-12-14-29-15-13-23)21-8-10-22(11-9-21)31(25,26)18-4-2-1-3-5-18/h1-7H,8-16H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone has a molecular weight of 499.64 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone is sourced from PubChem (CID 137331344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).