2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide

C16H16BrNOS — CID 1289178

IUPAC2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNOS/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h3-11H,2,12H2,1H3
InChIKeyLXWQVLBEFMFFOM-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.59
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide

2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide (PubChem CID 1289178) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide
PubChem CID1289178
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNOS/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h3-11H,2,12H2,1H3
InChIKeyLXWQVLBEFMFFOM-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide (CID 1289178) is 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
The InChIKey is LXWQVLBEFMFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h3-11H,2,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide?
2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide has a molecular weight of 350.28 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 1289178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).