2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C15H18BrN3O4S2 — CID 38797770

IUPAC2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCc1ccco1
InChIInChI=1S/C15H18BrN3O4S2/c16-13-3-4-15(24-13)25(21,22)19-7-5-18(6-8-19)11-14(20)17-10-12-2-1-9-23-12/h1-4,9H,5-8,10-11H2,(H,17,20)
InChIKeyOYXWTNIUQGLTMV-UHFFFAOYSA-N
MW448.36 g/mol
LogP1.73
Rot. Bonds6

About 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 38797770) has the molecular formula C15H18BrN3O4S2 and a molecular weight of 448.36 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID38797770
Molecular FormulaC15H18BrN3O4S2
Molecular Weight448.36 g/mol
Exact Mass446.99
IUPAC Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCc1ccco1
InChIInChI=1S/C15H18BrN3O4S2/c16-13-3-4-15(24-13)25(21,22)19-7-5-18(6-8-19)11-14(20)17-10-12-2-1-9-23-12/h1-4,9H,5-8,10-11H2,(H,17,20)
InChIKeyOYXWTNIUQGLTMV-UHFFFAOYSA-N
XLogP1.73
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 53118948
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
1-(furan-2-ylmethyl)-2-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]guanidine
CID 119114490
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039064
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 2358193
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 38797770) is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)NCc1ccco1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OYXWTNIUQGLTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O4S2/c16-13-3-4-15(24-13)25(21,22)19-7-5-18(6-8-19)11-14(20)17-10-12-2-1-9-23-12/h1-4,9H,5-8,10-11H2,(H,17,20).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 448.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 38797770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).