N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide

C18H19Cl2NOS — CID 100605659

IUPACN-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1
InChIInChI=1S/C18H19Cl2NOS/c19-16-8-6-15(17(20)12-16)7-9-18(22)21-10-11-23-13-14-4-2-1-3-5-14/h1-6,8,12H,7,9-11,13H2,(H,21,22)
InChIKeyQHLLKIVCWKUFOB-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.98
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide

N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide (PubChem CID 100605659) has the molecular formula C18H19Cl2NOS and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
PubChem CID100605659
Molecular FormulaC18H19Cl2NOS
Molecular Weight368.33 g/mol
Exact Mass367.06
IUPAC NameN-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1
InChIInChI=1S/C18H19Cl2NOS/c19-16-8-6-15(17(20)12-16)7-9-18(22)21-10-11-23-13-14-4-2-1-3-5-14/h1-6,8,12H,7,9-11,13H2,(H,21,22)
InChIKeyQHLLKIVCWKUFOB-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide 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-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(2-benzylsulfanylethyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 7488647
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
CID 100554672
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
3-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 100588605
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
CID 120611624
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2283224
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 100635104
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide (CID 100605659) is N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide?
The InChIKey is QHLLKIVCWKUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NOS/c19-16-8-6-15(17(20)12-16)7-9-18(22)21-10-11-23-13-14-4-2-1-3-5-14/h1-6,8,12H,7,9-11,13H2,(H,21,22).
What are the key properties of N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide?
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide has a molecular weight of 368.33 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 100605659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).