3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

C18H22ClN3OS — CID 16931447

IUPAC3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccsc2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-21-6-8-22(9-7-21)17(15-5-10-24-13-15)12-20-18(23)14-3-2-4-16(19)11-14/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,20,23)
InChIKeyXCKQBWSRLLGNCY-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.12
Rot. Bonds5

About 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931447) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931447
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccsc2)CC1
InChIInChI=1S/C18H22ClN3OS/c1-21-6-8-22(9-7-21)17(15-5-10-24-13-15)12-20-18(23)14-3-2-4-16(19)11-14/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,20,23)
InChIKeyXCKQBWSRLLGNCY-UHFFFAOYSA-N
XLogP3.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
CID 30604751
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931446
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (CID 16931447) is 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is CN1CCN(C(CNC(=O)c2cccc(Cl)c2)c2ccsc2)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is XCKQBWSRLLGNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-21-6-8-22(9-7-21)17(15-5-10-24-13-15)12-20-18(23)14-3-2-4-16(19)11-14/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,20,23).
What are the key properties of 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 363.91 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).