N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide

C17H17Cl2NOS — CID 4219372

IUPACN-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1cccc(Cl)c1)NCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NOS/c18-15-6-3-4-13(10-15)12-22-9-8-17(21)20-11-14-5-1-2-7-16(14)19/h1-7,10H,8-9,11-12H2,(H,20,21)
InChIKeyRZWWHKIHJQGVAH-UHFFFAOYSA-N
MW354.30 g/mol
LogP4.93
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide (PubChem CID 4219372) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide
PubChem CID4219372
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide
SMILESO=C(CCSCc1cccc(Cl)c1)NCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NOS/c18-15-6-3-4-13(10-15)12-22-9-8-17(21)20-11-14-5-1-2-7-16(14)19/h1-7,10H,8-9,11-12H2,(H,20,21)
InChIKeyRZWWHKIHJQGVAH-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.93
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-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide (CID 4219372) is N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide is O=C(CCSCc1cccc(Cl)c1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
The InChIKey is RZWWHKIHJQGVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS/c18-15-6-3-4-13(10-15)12-22-9-8-17(21)20-11-14-5-1-2-7-16(14)19/h1-7,10H,8-9,11-12H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide has a molecular weight of 354.30 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3-chlorophenyl)methylsulfanyl]propanamide is sourced from PubChem (CID 4219372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).