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

C19H16BrNOS — CID 46233848

IUPAC(4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone
SMILESCN(C)c1sc(C(=O)c2ccc(Br)cc2)cc1-c1ccccc1
InChIInChI=1S/C19H16BrNOS/c1-21(2)19-16(13-6-4-3-5-7-13)12-17(23-19)18(22)14-8-10-15(20)11-9-14/h3-12H,1-2H3
InChIKeyXYHSTMYRMQYQCQ-UHFFFAOYSA-N
MW386.31 g/mol
LogP5.47
Rot. Bonds4

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

(4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone (PubChem CID 46233848) has the molecular formula C19H16BrNOS and a molecular weight of 386.31 g/mol. Its IUPAC name is (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone
PubChem CID46233848
Molecular FormulaC19H16BrNOS
Molecular Weight386.31 g/mol
Exact Mass385.01
IUPAC Name(4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone
SMILESCN(C)c1sc(C(=O)c2ccc(Br)cc2)cc1-c1ccccc1
InChIInChI=1S/C19H16BrNOS/c1-21(2)19-16(13-6-4-3-5-7-13)12-17(23-19)18(22)14-8-10-15(20)11-9-14/h3-12H,1-2H3
InChIKeyXYHSTMYRMQYQCQ-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-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone (CID 46233848) is (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone is CN(C)c1sc(C(=O)c2ccc(Br)cc2)cc1-c1ccccc1.
What is the InChIKey of (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone?
The InChIKey is XYHSTMYRMQYQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNOS/c1-21(2)19-16(13-6-4-3-5-7-13)12-17(23-19)18(22)14-8-10-15(20)11-9-14/h3-12H,1-2H3.
What are the key properties of (4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone?
(4-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone 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-bromophenyl)-[5-(dimethylamino)-4-phenylthiophen-2-yl]methanone is sourced from PubChem (CID 46233848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).