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

C19H16BrNOS — CID 46233850

IUPAC[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone
SMILESCN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNOS/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
InChIKeyGQRSCMZAAQWBFH-UHFFFAOYSA-N
MW386.31 g/mol
LogP5.47
Rot. Bonds4

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

[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone (PubChem CID 46233850) has the molecular formula C19H16BrNOS and a molecular weight of 386.31 g/mol. Its IUPAC name is [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone
PubChem CID46233850
Molecular FormulaC19H16BrNOS
Molecular Weight386.31 g/mol
Exact Mass385.01
IUPAC Name[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone
SMILESCN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNOS/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
InChIKeyGQRSCMZAAQWBFH-UHFFFAOYSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone (CID 46233850) is [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone is CN(C)c1sc(C(=O)c2ccccc2)cc1-c1ccc(Br)cc1.
What is the InChIKey of [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone?
The InChIKey is GQRSCMZAAQWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNOS/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 [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone?
[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone has a molecular weight of 386.31 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 46233850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).