3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide

C18H19Cl2NOS — CID 8798737

IUPAC3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCSCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2NOS/c1-13-2-4-14(5-3-13)11-21-18(22)8-9-23-12-15-6-7-16(19)17(20)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)
InChIKeySTSPIKGHVSROBR-UHFFFAOYSA-N
MW368.33 g/mol
LogP5.24
Rot. Bonds7

About 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide

3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 8798737) has the molecular formula C18H19Cl2NOS and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID8798737
Molecular FormulaC18H19Cl2NOS
Molecular Weight368.33 g/mol
Exact Mass367.06
IUPAC Name3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCSCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2NOS/c1-13-2-4-14(5-3-13)11-21-18(22)8-9-23-12-15-6-7-16(19)17(20)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)
InChIKeySTSPIKGHVSROBR-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.33
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 4064424
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
1-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]thiourea
CID 19649413
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414923
N-[(4-methylphenyl)methyl]butanamide
CID 835678
4-[3-[(3,4-dichlorophenyl)methylsulfanyl]propanoylamino]benzamide
CID 8798553
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 8799163

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide (CID 8798737) is 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCSCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is STSPIKGHVSROBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NOS/c1-13-2-4-14(5-3-13)11-21-18(22)8-9-23-12-15-6-7-16(19)17(20)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 368.33 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 8798737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).