N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

C18H18N2OS — CID 17427781

IUPACN-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C18H18N2OS/c1-12-4-9-17(13(2)10-12)22-14(3)18(21)20-16-7-5-15(11-19)6-8-16/h4-10,14H,1-3H3,(H,20,21)
InChIKeyHRFAMGKHOFRGNK-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.29
Rot. Bonds4

About N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 17427781) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID17427781
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C18H18N2OS/c1-12-4-9-17(13(2)10-12)22-14(3)18(21)20-16-7-5-15(11-19)6-8-16/h4-10,14H,1-3H3,(H,20,21)
InChIKeyHRFAMGKHOFRGNK-UHFFFAOYSA-N
XLogP4.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)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-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
N-(4-cyanophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16554861
(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7825113
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458639
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458641
(2S)-N-(4-cyanophenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7862454
(2R)-N-(4-cyanophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9407792

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 17427781) is N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccc(C#N)cc2)c(C)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is HRFAMGKHOFRGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-4-9-17(13(2)10-12)22-14(3)18(21)20-16-7-5-15(11-19)6-8-16/h4-10,14H,1-3H3,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 17427781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).