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

C15H13Br2NOS — CID 53318783

IUPAC2-[bis(4-bromophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2NOS/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)
InChIKeyVQDHOYFDFLRELQ-UHFFFAOYSA-N
MW415.15 g/mol
LogP4.52
Rot. Bonds5

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

2-[bis(4-bromophenyl)methylsulfanyl]acetamide (PubChem CID 53318783) has the molecular formula C15H13Br2NOS and a molecular weight of 415.15 g/mol. Its IUPAC name is 2-[bis(4-bromophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[bis(4-bromophenyl)methylsulfanyl]acetamide
PubChem CID53318783
Molecular FormulaC15H13Br2NOS
Molecular Weight415.15 g/mol
Exact Mass412.91
IUPAC Name2-[bis(4-bromophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2NOS/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)
InChIKeyVQDHOYFDFLRELQ-UHFFFAOYSA-N
XLogP4.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-bromophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[bis(4-bromophenyl)methylsulfanyl]acetamide (CID 53318783) is 2-[bis(4-bromophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[bis(4-bromophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[bis(4-bromophenyl)methylsulfanyl]acetamide is NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[bis(4-bromophenyl)methylsulfanyl]acetamide?
The InChIKey is VQDHOYFDFLRELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NOS/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-bromophenyl)methylsulfanyl]acetamide?
2-[bis(4-bromophenyl)methylsulfanyl]acetamide has a molecular weight of 415.15 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-bromophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 53318783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).