4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide

C18H20F2N2O2S — CID 47054814

IUPAC4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1
InChIInChI=1S/C18H20F2N2O2S/c1-22(2)16(12-7-8-25-11-12)10-21-18(24)6-5-17(23)14-4-3-13(19)9-15(14)20/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,21,24)
InChIKeyFTXXSGOASSCJPW-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.41
Rot. Bonds8

About 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide

4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide (PubChem CID 47054814) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide
PubChem CID47054814
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1
InChIInChI=1S/C18H20F2N2O2S/c1-22(2)16(12-7-8-25-11-12)10-21-18(24)6-5-17(23)14-4-3-13(19)9-15(14)20/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,21,24)
InChIKeyFTXXSGOASSCJPW-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide (CID 47054814) is 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide is CN(C)C(CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide?
The InChIKey is FTXXSGOASSCJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-22(2)16(12-7-8-25-11-12)10-21-18(24)6-5-17(23)14-4-3-13(19)9-15(14)20/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,21,24).
What are the key properties of 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide?
4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide has a molecular weight of 366.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide is sourced from PubChem (CID 47054814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).