N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide

C19H23NOS2 — CID 2289761

IUPACN-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide
SMILESCc1cccc(CSCCNC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C19H23NOS2/c1-16-6-5-7-17(14-16)15-22-13-11-20-19(21)10-12-23-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H,20,21)
InChIKeyGQDLXWLACDHXOM-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.53
Rot. Bonds9

About N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide

N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide (PubChem CID 2289761) has the molecular formula C19H23NOS2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide
PubChem CID2289761
Molecular FormulaC19H23NOS2
Molecular Weight345.53 g/mol
Exact Mass345.12
IUPAC NameN-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide
SMILESCc1cccc(CSCCNC(=O)CCSc2ccccc2)c1
InChIInChI=1S/C19H23NOS2/c1-16-6-5-7-17(14-16)15-22-13-11-20-19(21)10-12-23-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H,20,21)
InChIKeyGQDLXWLACDHXOM-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N-butyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2886275
N-Phenethyl-2-phenylsulfanyl-acetamide
CID 846686
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide (CID 2289761) is N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide is Cc1cccc(CSCCNC(=O)CCSc2ccccc2)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is GQDLXWLACDHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS2/c1-16-6-5-7-17(14-16)15-22-13-11-20-19(21)10-12-23-18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3,(H,20,21).
What are the key properties of N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide?
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 345.53 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2289761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).