2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

C18H21FN2O2S — CID 16931619

IUPAC2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(COc1ccccc1F)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C18H21FN2O2S/c19-15-5-1-2-6-17(15)23-12-18(22)20-11-16(14-7-10-24-13-14)21-8-3-4-9-21/h1-2,5-7,10,13,16H,3-4,8-9,11-12H2,(H,20,22)
InChIKeyAHUNNLUYLRMHCK-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.22
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide

2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 16931619) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID16931619
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(COc1ccccc1F)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C18H21FN2O2S/c19-15-5-1-2-6-17(15)23-12-18(22)20-11-16(14-7-10-24-13-14)21-8-3-4-9-21/h1-2,5-7,10,13,16H,3-4,8-9,11-12H2,(H,20,22)
InChIKeyAHUNNLUYLRMHCK-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931345
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 40847718
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931623
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methylphenoxy)acetamide
CID 16931891
2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604861
2-(3-methylphenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931343
2-(2-fluorophenoxy)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 7833134
2-(4-fluorophenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]acetamide
CID 30605201
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 100690800
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 30605386

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide (CID 16931619) is 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is O=C(COc1ccccc1F)NCC(c1ccsc1)N1CCCC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is AHUNNLUYLRMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-15-5-1-2-6-17(15)23-12-18(22)20-11-16(14-7-10-24-13-14)21-8-3-4-9-21/h1-2,5-7,10,13,16H,3-4,8-9,11-12H2,(H,20,22).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 16931619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).