N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

C18H21FN2OS — CID 17442708

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1CCCC1c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-13(14-6-8-15(19)9-7-14)20-18(22)12-21-10-2-4-16(21)17-5-3-11-23-17/h3,5-9,11,13,16H,2,4,10,12H2,1H3,(H,20,22)
InChIKeyZVIKUQAKSZZNHK-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.90
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 17442708) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
PubChem CID17442708
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1CCCC1c1cccs1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2OS/c1-13(14-6-8-15(19)9-7-14)20-18(22)12-21-10-2-4-16(21)17-5-3-11-23-17/h3,5-9,11,13,16H,2,4,10,12H2,1H3,(H,20,22)
InChIKeyZVIKUQAKSZZNHK-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
Proline scaffold, 28
CID 42618125
3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-2,4-imidazolidinedione
CID 900263
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide
CID 10323427
Proline scaffold, 32
CID 42618129
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
(5E)-3-[(2-fluorophenyl)methyl]-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751975

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (CID 17442708) is N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is CC(NC(=O)CN1CCCC1c1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is ZVIKUQAKSZZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-13(14-6-8-15(19)9-7-14)20-18(22)12-21-10-2-4-16(21)17-5-3-11-23-17/h3,5-9,11,13,16H,2,4,10,12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 17442708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).