N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C19H23NO3S — CID 134054577

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C19H23NO3S/c1-13-9-11-18(24-13)16(21)10-12-19(22)20(3)14(2)15-7-5-6-8-17(15)23-4/h5-9,11,14H,10,12H2,1-4H3
InChIKeyAWJYCNKREIDBMV-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.25
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 134054577) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID134054577
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCC(=O)c1ccc(C)s1
InChIInChI=1S/C19H23NO3S/c1-13-9-11-18(24-13)16(21)10-12-19(22)20(3)14(2)15-7-5-6-8-17(15)23-4/h5-9,11,14H,10,12H2,1-4H3
InChIKeyAWJYCNKREIDBMV-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24544894
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116629
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516
N-[1-(2-bromophenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18111919
(1-oxo-1-phenylpropan-2-yl) 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55367802
4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 46588371
3-(4-cyanophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054649
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 134054577) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide is COc1ccccc1C(C)N(C)C(=O)CCC(=O)c1ccc(C)s1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is AWJYCNKREIDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13-9-11-18(24-13)16(21)10-12-19(22)20(3)14(2)15-7-5-6-8-17(15)23-4/h5-9,11,14H,10,12H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 345.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 134054577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).