2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide

C19H24FN3O2S — CID 30604861

IUPAC2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCN1CCN([C@@H](CNC(=O)COc2ccc(F)cc2)c2ccsc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-22-7-9-23(10-8-22)18(15-6-11-26-14-15)12-21-19(24)13-25-17-4-2-16(20)3-5-17/h2-6,11,14,18H,7-10,12-13H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyKMZGWSFZSGPLBH-SFHVURJKSA-N
MW377.49 g/mol
LogP2.37
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide

2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 30604861) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
PubChem CID30604861
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
SMILESCN1CCN([C@@H](CNC(=O)COc2ccc(F)cc2)c2ccsc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-22-7-9-23(10-8-22)18(15-6-11-26-14-15)12-21-19(24)13-25-17-4-2-16(20)3-5-17/h2-6,11,14,18H,7-10,12-13H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyKMZGWSFZSGPLBH-SFHVURJKSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 40847718
2-(4-fluorophenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]acetamide
CID 30605201
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931623
2-(3-methoxyphenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 51589874
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methylphenoxy)acetamide
CID 16931891
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
2-(2-methoxy-4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931501
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931619
2-(2-fluorophenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931345
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide (CID 30604861) is 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide is CN1CCN([C@@H](CNC(=O)COc2ccc(F)cc2)c2ccsc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is KMZGWSFZSGPLBH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-22-7-9-23(10-8-22)18(15-6-11-26-14-15)12-21-19(24)13-25-17-4-2-16(20)3-5-17/h2-6,11,14,18H,7-10,12-13H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide?
2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 30604861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).