N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide

C16H16ClNOS — CID 875647

IUPACN-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H16ClNOS/c17-15-8-4-7-14(9-15)11-20-12-16(19)18-10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,19)
InChIKeyBYNNKBRPVZTORQ-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.89
Rot. Bonds6

About N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide

N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 875647) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
PubChem CID875647
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H16ClNOS/c17-15-8-4-7-14(9-15)11-20-12-16(19)18-10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,19)
InChIKeyBYNNKBRPVZTORQ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide (CID 875647) is N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1cccc(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is BYNNKBRPVZTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c17-15-8-4-7-14(9-15)11-20-12-16(19)18-10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 305.83 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 875647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).