N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide

C20H28FN3O2S — CID 22373381

IUPACN-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)(C)O)N1CCN(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C20H28FN3O2S/c1-4-5-8-24(19(25)20(2,3)26)23-11-9-22(10-12-23)17-14-27-18-13-15(21)6-7-16(17)18/h6-7,13-14,26H,4-5,8-12H2,1-3H3
InChIKeyXJIRIPNWJSWRSY-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.48
Rot. Bonds6

About N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide

N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 22373381) has the molecular formula C20H28FN3O2S and a molecular weight of 393.53 g/mol. Its IUPAC name is N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide
PubChem CID22373381
Molecular FormulaC20H28FN3O2S
Molecular Weight393.53 g/mol
Exact Mass393.19
IUPAC NameN-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)(C)O)N1CCN(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C20H28FN3O2S/c1-4-5-8-24(19(25)20(2,3)26)23-11-9-22(10-12-23)17-14-27-18-13-15(21)6-7-16(17)18/h6-7,13-14,26H,4-5,8-12H2,1-3H3
InChIKeyXJIRIPNWJSWRSY-UHFFFAOYSA-N
XLogP3.48
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide (CID 22373381) is N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide is CCCCN(C(=O)C(C)(C)O)N1CCN(c2csc3cc(F)ccc23)CC1.
What is the InChIKey of N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is XJIRIPNWJSWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2S/c1-4-5-8-24(19(25)20(2,3)26)23-11-9-22(10-12-23)17-14-27-18-13-15(21)6-7-16(17)18/h6-7,13-14,26H,4-5,8-12H2,1-3H3.
What are the key properties of N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide?
N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 393.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22373381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).