N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide

C20H25FN2O2S — CID 110621995

IUPACN-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)C(CNC(=O)CCC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C20H25FN2O2S/c1-3-23(4-2)17(19-10-7-13-26-19)14-22-20(25)12-11-18(24)15-8-5-6-9-16(15)21/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,25)
InChIKeyYZVURKHYOQMTLI-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.05
Rot. Bonds10

About N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide (PubChem CID 110621995) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
PubChem CID110621995
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
SMILESCCN(CC)C(CNC(=O)CCC(=O)c1ccccc1F)c1cccs1
InChIInChI=1S/C20H25FN2O2S/c1-3-23(4-2)17(19-10-7-13-26-19)14-22-20(25)12-11-18(24)15-8-5-6-9-16(15)21/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,25)
InChIKeyYZVURKHYOQMTLI-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110622036
N-[2-(diethylamino)-2-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18167087
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 112503950
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
CID 112503956
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4808882
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112503947
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 112503957
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide (CID 110621995) is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide is CCN(CC)C(CNC(=O)CCC(=O)c1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
The InChIKey is YZVURKHYOQMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-3-23(4-2)17(19-10-7-13-26-19)14-22-20(25)12-11-18(24)15-8-5-6-9-16(15)21/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide?
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide has a molecular weight of 376.50 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110621995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).