N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

C18H19Cl2NOS — CID 18207485

IUPACN-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCc1cc(C)c(SC(C)C(=O)Nc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C18H19Cl2NOS/c1-10-7-11(2)17(12(3)8-10)23-13(4)18(22)21-16-9-14(19)5-6-15(16)20/h5-9,13H,1-4H3,(H,21,22)
InChIKeyXYIDBSQHNROAAW-UHFFFAOYSA-N
MW368.33 g/mol
LogP6.04
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (PubChem CID 18207485) has the molecular formula C18H19Cl2NOS and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
PubChem CID18207485
Molecular FormulaC18H19Cl2NOS
Molecular Weight368.33 g/mol
Exact Mass367.06
IUPAC NameN-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCc1cc(C)c(SC(C)C(=O)Nc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C18H19Cl2NOS/c1-10-7-11(2)17(12(3)8-10)23-13(4)18(22)21-16-9-14(19)5-6-15(16)20/h5-9,13H,1-4H3,(H,21,22)
InChIKeyXYIDBSQHNROAAW-UHFFFAOYSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.33
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)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

(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2977201
(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 25496828
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 2488389
N-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095314
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (CID 18207485) is N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is Cc1cc(C)c(SC(C)C(=O)Nc2cc(Cl)ccc2Cl)c(C)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The InChIKey is XYIDBSQHNROAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NOS/c1-10-7-11(2)17(12(3)8-10)23-13(4)18(22)21-16-9-14(19)5-6-15(16)20/h5-9,13H,1-4H3,(H,21,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide has a molecular weight of 368.33 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 18207485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).