N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide

C15H20N3O4S2+ — CID 8745661

IUPACN-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccco1
InChIInChI=1S/C15H19N3O4S2/c19-14(16-11-13-3-1-9-22-13)12-17-5-7-18(8-6-17)24(20,21)15-4-2-10-23-15/h1-4,9-10H,5-8,11-12H2,(H,16,19)/p+1
InChIKeyNPAUUQBCNIJTSE-UHFFFAOYSA-O
MW370.48 g/mol
LogP-0.45
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8745661) has the molecular formula C15H20N3O4S2+ and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
PubChem CID8745661
Molecular FormulaC15H20N3O4S2+
Molecular Weight370.48 g/mol
Exact Mass370.09
IUPAC NameN-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccco1
InChIInChI=1S/C15H19N3O4S2/c19-14(16-11-13-3-1-9-22-13)12-17-5-7-18(8-6-17)24(20,21)15-4-2-10-23-15/h1-4,9-10H,5-8,11-12H2,(H,16,19)/p+1
InChIKeyNPAUUQBCNIJTSE-UHFFFAOYSA-O
XLogP-0.45
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9286763
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 9223461
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745941
N-naphthalen-2-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745758
N-(4-cyanophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745828
N-(3,4-dimethylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655749
N-(3-chloro-4-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745682
N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide
CID 8686905
N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118935
(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088759

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide (CID 8745661) is N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is O=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is NPAUUQBCNIJTSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O4S2/c19-14(16-11-13-3-1-9-22-13)12-17-5-7-18(8-6-17)24(20,21)15-4-2-10-23-15/h1-4,9-10H,5-8,11-12H2,(H,16,19)/p+1.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 370.48 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8745661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).