[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone

C19H16ClNOS — CID 132849028

IUPAC[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
SMILESCN(C)c1sc(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16ClNOS/c1-21(2)19-16(18(22)14-6-4-3-5-7-14)12-17(23-19)13-8-10-15(20)11-9-13/h3-12H,1-2H3
InChIKeyWHPRZBIREHOKHR-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.37
Rot. Bonds4

About [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone

[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone (PubChem CID 132849028) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
PubChem CID132849028
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC Name[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone
SMILESCN(C)c1sc(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H16ClNOS/c1-21(2)19-16(18(22)14-6-4-3-5-7-14)12-17(23-19)13-8-10-15(20)11-9-13/h3-12H,1-2H3
InChIKeyWHPRZBIREHOKHR-UHFFFAOYSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[5-(4-chlorophenyl)-3-phenylthiophen-2-yl]methanone
CID 10938449
[5-(dimethylamino)-4-phenylthiophen-2-yl]-phenylmethanone
CID 3732236
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817
N-(2-benzoyl-4-chlorophenyl)-N-chloroacetamide
CID 139392236
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[5-(4-chloroanilino)-3-(dimethylamino)thiophen-2-yl]-phenylmethanone
CID 44517501
5-(4-chlorophenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-3-carboxylic acid
CID 58869749
5-(4-chlorophenyl)-3-[2-(dimethylamino)ethenyl]thiophene-2-carboxylic acid
CID 173065142
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone (CID 132849028) is [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone is CN(C)c1sc(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone?
The InChIKey is WHPRZBIREHOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c1-21(2)19-16(18(22)14-6-4-3-5-7-14)12-17(23-19)13-8-10-15(20)11-9-13/h3-12H,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone?
[5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone has a molecular weight of 341.86 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-(dimethylamino)thiophen-3-yl]-phenylmethanone is sourced from PubChem (CID 132849028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).