2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide

C17H18BrNOS — CID 2351763

IUPAC2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H18BrNOS/c1-13(2)19(15-6-4-3-5-7-15)17(20)12-21-16-10-8-14(18)9-11-16/h3-11,13H,12H2,1-2H3
InChIKeyFIBHDEUELAGVRO-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide

2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide (PubChem CID 2351763) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
PubChem CID2351763
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H18BrNOS/c1-13(2)19(15-6-4-3-5-7-15)17(20)12-21-16-10-8-14(18)9-11-16/h3-11,13H,12H2,1-2H3
InChIKeyFIBHDEUELAGVRO-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.98
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-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide (CID 2351763) is 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is FIBHDEUELAGVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-13(2)19(15-6-4-3-5-7-15)17(20)12-21-16-10-8-14(18)9-11-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide?
2-(4-bromophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 364.31 g/mol, XLogP of 4.98, 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-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 2351763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).