[5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone

C19H16FNOS — CID 46233851

IUPAC[5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone
SMILESCN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H16FNOS/c1-21(2)19-16(13-8-10-15(20)11-9-13)12-17(23-19)18(22)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyHKOZSTLFQQNWCL-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.85
Rot. Bonds4

About [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone

[5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone (PubChem CID 46233851) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone
PubChem CID46233851
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name[5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone
SMILESCN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H16FNOS/c1-21(2)19-16(13-8-10-15(20)11-9-13)12-17(23-19)18(22)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyHKOZSTLFQQNWCL-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone (CID 46233851) is [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone is CN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone?
The InChIKey is HKOZSTLFQQNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-21(2)19-16(13-8-10-15(20)11-9-13)12-17(23-19)18(22)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone?
[5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone has a molecular weight of 325.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-4-(4-fluorophenyl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 46233851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).