2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C18H22N4O5S — CID 2107417

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C18H22N4O5S/c23-17(20-18(24)19-13-15-5-4-12-27-15)14-21-8-10-22(11-9-21)28(25,26)16-6-2-1-3-7-16/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24)
InChIKeyNAGFPHFPYAQKLO-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.61
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2107417) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2107417
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)NCc1ccco1
InChIInChI=1S/C18H22N4O5S/c23-17(20-18(24)19-13-15-5-4-12-27-15)14-21-8-10-22(11-9-21)28(25,26)16-6-2-1-3-7-16/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24)
InChIKeyNAGFPHFPYAQKLO-UHFFFAOYSA-N
XLogP0.61
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2107417) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is NAGFPHFPYAQKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c23-17(20-18(24)19-13-15-5-4-12-27-15)14-21-8-10-22(11-9-21)28(25,26)16-6-2-1-3-7-16/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 406.46 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2107417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).