N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide

C18H21NOS — CID 60594153

IUPACN-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NOS/c1-12-7-5-10-16(11-12)21-15(4)18(20)19-17-13(2)8-6-9-14(17)3/h5-11,15H,1-4H3,(H,19,20)
InChIKeyLVHUVMNJKRXSLT-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.73
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide

N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 60594153) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID60594153
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCc1cccc(SC(C)C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NOS/c1-12-7-5-10-16(11-12)21-15(4)18(20)19-17-13(2)8-6-9-14(17)3/h5-11,15H,1-4H3,(H,19,20)
InChIKeyLVHUVMNJKRXSLT-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide 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

(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
CID 18894207
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8633890
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
N-(2,6-dimethylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 86909527
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
N-[3-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902697
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide (CID 60594153) is N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide is Cc1cccc(SC(C)C(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is LVHUVMNJKRXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-12-7-5-10-16(11-12)21-15(4)18(20)19-17-13(2)8-6-9-14(17)3/h5-11,15H,1-4H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide?
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 299.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 60594153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).