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

C19H15Br2NOS — CID 46234019

IUPAC(4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone
SMILESCN(C)c1sc(C(=O)c2ccc(Br)cc2)cc1-c1ccc(Br)cc1
InChIInChI=1S/C19H15Br2NOS/c1-22(2)19-16(12-3-7-14(20)8-4-12)11-17(24-19)18(23)13-5-9-15(21)10-6-13/h3-11H,1-2H3
InChIKeyJXDVQJSJGAMMHD-UHFFFAOYSA-N
MW465.21 g/mol
LogP6.24
Rot. Bonds4

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

(4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone (PubChem CID 46234019) has the molecular formula C19H15Br2NOS and a molecular weight of 465.21 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone
PubChem CID46234019
Molecular FormulaC19H15Br2NOS
Molecular Weight465.21 g/mol
Exact Mass462.92
IUPAC Name(4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone
SMILESCN(C)c1sc(C(=O)c2ccc(Br)cc2)cc1-c1ccc(Br)cc1
InChIInChI=1S/C19H15Br2NOS/c1-22(2)19-16(12-3-7-14(20)8-4-12)11-17(24-19)18(23)13-5-9-15(21)10-6-13/h3-11H,1-2H3
InChIKeyJXDVQJSJGAMMHD-UHFFFAOYSA-N
XLogP6.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.21
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone (CID 46234019) is (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone is CN(C)c1sc(C(=O)c2ccc(Br)cc2)cc1-c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone?
The InChIKey is JXDVQJSJGAMMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Br2NOS/c1-22(2)19-16(12-3-7-14(20)8-4-12)11-17(24-19)18(23)13-5-9-15(21)10-6-13/h3-11H,1-2H3.
What are the key properties of (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone?
(4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone has a molecular weight of 465.21 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(4-bromophenyl)-5-(dimethylamino)thiophen-2-yl]methanone is sourced from PubChem (CID 46234019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).