[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone

C19H19NOS — CID 67296910

IUPAC[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone
SMILESCN(C)CCc1csc(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H19NOS/c1-20(2)11-10-14-12-18(22-13-14)19(21)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyIVSVCEABMXGVRP-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.24
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone

[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone (PubChem CID 67296910) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone
PubChem CID67296910
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone
SMILESCN(C)CCc1csc(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C19H19NOS/c1-20(2)11-10-14-12-18(22-13-14)19(21)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyIVSVCEABMXGVRP-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl-[4-(2-pyrrolidin-1-ylethyl)thiophen-2-yl]methanone
CID 67297223
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446
bis(4-propylthiophen-2-yl)methanone
CID 67902455
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanone
CID 62344595
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
[3-[3,5-bis(naphthalene-1-carbonyl)benzoyl]-5-(naphthalene-1-carbonyl)phenyl]-naphthalen-1-ylmethanone;ethane;methanethiol;propane
CID 143925290
naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
CID 11681524
(2-bromo-4-ethylphenyl)-naphthalen-1-ylmethanone
CID 125473498
4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid
CID 113403985

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone (CID 67296910) is [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone is CN(C)CCc1csc(C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone?
The InChIKey is IVSVCEABMXGVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-20(2)11-10-14-12-18(22-13-14)19(21)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone?
[4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone has a molecular weight of 309.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]thiophen-2-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 67296910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).