2-[bis(4-chlorophenyl)methylsulfanyl]acetamide

C15H13Cl2NOS — CID 53324067

IUPAC2-[bis(4-chlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-5-1-10(2-6-12)15(20-9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKeyTZBPRPRBMCXUQP-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.30
Rot. Bonds5

About 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide

2-[bis(4-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 53324067) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methylsulfanyl]acetamide
PubChem CID53324067
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name2-[bis(4-chlorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-5-1-10(2-6-12)15(20-9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKeyTZBPRPRBMCXUQP-UHFFFAOYSA-N
XLogP4.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide (CID 53324067) is 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide is NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is TZBPRPRBMCXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c16-12-5-1-10(2-6-12)15(20-9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19).
What are the key properties of 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide?
2-[bis(4-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 326.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 53324067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).