N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide

C20H27N3OS — CID 2384045

IUPACN-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N3OS/c1-15-16(2)25-20(21-17(3)24)19(15)14-23-11-9-22(10-12-23)13-18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3,(H,21,24)
InChIKeyNVJZBSZPMXCVBY-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.64
Rot. Bonds5

About N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide

N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide (PubChem CID 2384045) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide
PubChem CID2384045
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C)c(C)c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N3OS/c1-15-16(2)25-20(21-17(3)24)19(15)14-23-11-9-22(10-12-23)13-18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3,(H,21,24)
InChIKeyNVJZBSZPMXCVBY-UHFFFAOYSA-N
XLogP3.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide?
The IUPAC name of N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide (CID 2384045) is N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide is CC(=O)Nc1sc(C)c(C)c1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide?
The InChIKey is NVJZBSZPMXCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-16(2)25-20(21-17(3)24)19(15)14-23-11-9-22(10-12-23)13-18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide?
N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]acetamide is sourced from PubChem (CID 2384045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).