2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide

C13H20BrN3O3S2 — CID 9317685

IUPAC2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrN3O3S2/c1-2-5-15-12(18)10-16-6-8-17(9-7-16)22(19,20)13-4-3-11(14)21-13/h3-4H,2,5-10H2,1H3,(H,15,18)
InChIKeyXPIQDEPBAWQWNZ-UHFFFAOYSA-N
MW410.36 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide (PubChem CID 9317685) has the molecular formula C13H20BrN3O3S2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide
PubChem CID9317685
Molecular FormulaC13H20BrN3O3S2
Molecular Weight410.36 g/mol
Exact Mass409.01
IUPAC Name2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C13H20BrN3O3S2/c1-2-5-15-12(18)10-16-6-8-17(9-7-16)22(19,20)13-4-3-11(14)21-13/h3-4H,2,5-10H2,1H3,(H,15,18)
InChIKeyXPIQDEPBAWQWNZ-UHFFFAOYSA-N
XLogP1.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide (CID 9317685) is 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The InChIKey is XPIQDEPBAWQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S2/c1-2-5-15-12(18)10-16-6-8-17(9-7-16)22(19,20)13-4-3-11(14)21-13/h3-4H,2,5-10H2,1H3,(H,15,18).
What are the key properties of 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide?
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide has a molecular weight of 410.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 9317685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).