2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide

C21H21FN2OS — CID 18088428

IUPAC2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCC(NCC(=O)NC(c1ccccc1)c1cccs1)c1ccccc1F
InChIInChI=1S/C21H21FN2OS/c1-15(17-10-5-6-11-18(17)22)23-14-20(25)24-21(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-13,15,21,23H,14H2,1H3,(H,24,25)
InChIKeyVRYODPKSPSXNIO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.44
Rot. Bonds7

About 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 18088428) has the molecular formula C21H21FN2OS and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID18088428
Molecular FormulaC21H21FN2OS
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC Name2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCC(NCC(=O)NC(c1ccccc1)c1cccs1)c1ccccc1F
InChIInChI=1S/C21H21FN2OS/c1-15(17-10-5-6-11-18(17)22)23-14-20(25)24-21(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-13,15,21,23H,14H2,1H3,(H,24,25)
InChIKeyVRYODPKSPSXNIO-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599003
2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18088222
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866227
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599467
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 18088428) is 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide is CC(NCC(=O)NC(c1ccccc1)c1cccs1)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is VRYODPKSPSXNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2OS/c1-15(17-10-5-6-11-18(17)22)23-14-20(25)24-21(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-13,15,21,23H,14H2,1H3,(H,24,25).
What are the key properties of 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 18088428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).