2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone

C18H21NOS — CID 63567726

IUPAC2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(SC)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NOS/c1-4-19(16-9-5-14(2)6-10-16)13-18(20)15-7-11-17(21-3)12-8-15/h5-12H,4,13H2,1-3H3
InChIKeyNHSJEFLNPPZAJR-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.43
Rot. Bonds6

About 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone

2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 63567726) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID63567726
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCN(CC(=O)c1ccc(SC)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H21NOS/c1-4-19(16-9-5-14(2)6-10-16)13-18(20)15-7-11-17(21-3)12-8-15/h5-12H,4,13H2,1-3H3
InChIKeyNHSJEFLNPPZAJR-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone 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

1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566302
2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43795913
1-[4-(diethylamino)phenyl]-3-methylsulfanylpropan-1-one
CID 146006018
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43796358
N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
CID 62053546
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420264
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648
3-(N-[2-(4-methylphenyl)-2-oxoethyl]anilino)propanenitrile
CID 62050959

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone (CID 63567726) is 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone is CCN(CC(=O)c1ccc(SC)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is NHSJEFLNPPZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-4-19(16-9-5-14(2)6-10-16)13-18(20)15-7-11-17(21-3)12-8-15/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone?
2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 299.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 63567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).