N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide

C18H19Cl2NOS — CID 4083155

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1cccc(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NOS/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-23-13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyBFQGUUZPIRYUER-UHFFFAOYSA-N
MW368.33 g/mol
LogP4.98
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide (PubChem CID 4083155) has the molecular formula C18H19Cl2NOS and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide
PubChem CID4083155
Molecular FormulaC18H19Cl2NOS
Molecular Weight368.33 g/mol
Exact Mass367.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1cccc(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NOS/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-23-13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyBFQGUUZPIRYUER-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide (CID 4083155) is N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide is O=C(CCSCc1cccc(Cl)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
The InChIKey is BFQGUUZPIRYUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NOS/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-23-13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]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-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 4083155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).