2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide

C15H15BrN2O2S — CID 7478563

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(Br)cc2C)cn1
InChIInChI=1S/C15H15BrN2O2S/c1-10-7-11(16)3-5-13(10)21-9-14(19)18-12-4-6-15(20-2)17-8-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLVMINIMNAGWHAC-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 7478563) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID7478563
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(Br)cc2C)cn1
InChIInChI=1S/C15H15BrN2O2S/c1-10-7-11(16)3-5-13(10)21-9-14(19)18-12-4-6-15(20-2)17-8-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyLVMINIMNAGWHAC-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
2-(4-bromo-2-methylphenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 25343377
methyl 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenoxy]acetate
CID 55709184
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 34206787
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
N-(4-bromophenyl)-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62989750

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide (CID 7478563) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CSc2ccc(Br)cc2C)cn1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is LVMINIMNAGWHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-7-11(16)3-5-13(10)21-9-14(19)18-12-4-6-15(20-2)17-8-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 367.27 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 7478563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).