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

C19H24ClN3O2S — CID 16931413

IUPAC5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-6-8-23(9-7-22)17(14-5-10-26-13-14)12-21-19(24)16-11-15(20)3-4-18(16)25-2/h3-5,10-11,13,17H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyVNPCTZUPLYPBDY-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.13
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931413) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931413
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-6-8-23(9-7-22)17(14-5-10-26-13-14)12-21-19(24)16-11-15(20)3-4-18(16)25-2/h3-5,10-11,13,17H,6-9,12H2,1-2H3,(H,21,24)
InChIKeyVNPCTZUPLYPBDY-UHFFFAOYSA-N
XLogP3.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide (CID 16931413) is 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCC(c1ccsc1)N1CCN(C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is VNPCTZUPLYPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-22-6-8-23(9-7-22)17(14-5-10-26-13-14)12-21-19(24)16-11-15(20)3-4-18(16)25-2/h3-5,10-11,13,17H,6-9,12H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 393.94 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).