N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

C17H21N3O3S2 — CID 2901196

IUPACN-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-14(21)18-16-2-4-17(5-3-16)25(22,23)20-9-7-19(8-10-20)12-15-6-11-24-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,18,21)
InChIKeyRVDJFSIWNJCJDM-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.21
Rot. Bonds5

About N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 2901196) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID2901196
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C17H21N3O3S2/c1-14(21)18-16-2-4-17(5-3-16)25(22,23)20-9-7-19(8-10-20)12-15-6-11-24-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,18,21)
InChIKeyRVDJFSIWNJCJDM-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 2901196) is N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RVDJFSIWNJCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-14(21)18-16-2-4-17(5-3-16)25(22,23)20-9-7-19(8-10-20)12-15-6-11-24-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,18,21).
What are the key properties of N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2901196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).