N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide

C26H17BrClN3OS — CID 3128693

IUPACN-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C26H17BrClN3OS/c27-19-8-12-21(13-9-19)30-25(32)16-33-26-23(15-29)22(17-6-10-20(28)11-7-17)14-24(31-26)18-4-2-1-3-5-18/h1-14H,16H2,(H,30,32)
InChIKeyGUGCSWGFLMLQLO-UHFFFAOYSA-N
MW534.87 g/mol
LogP7.43
Rot. Bonds6

About N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide

N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide (PubChem CID 3128693) has the molecular formula C26H17BrClN3OS and a molecular weight of 534.87 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
PubChem CID3128693
Molecular FormulaC26H17BrClN3OS
Molecular Weight534.87 g/mol
Exact Mass533.00
IUPAC NameN-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C26H17BrClN3OS/c27-19-8-12-21(13-9-19)30-25(32)16-33-26-23(15-29)22(17-6-10-20(28)11-7-17)14-24(31-26)18-4-2-1-3-5-18/h1-14H,16H2,(H,30,32)
InChIKeyGUGCSWGFLMLQLO-UHFFFAOYSA-N
XLogP7.43
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.87
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide (CID 3128693) is N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide is N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is GUGCSWGFLMLQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrClN3OS/c27-19-8-12-21(13-9-19)30-25(32)16-33-26-23(15-29)22(17-6-10-20(28)11-7-17)14-24(31-26)18-4-2-1-3-5-18/h1-14H,16H2,(H,30,32).
What are the key properties of N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide?
N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 534.87 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 3128693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).