2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid

C21H20N2O2S — CID 143568576

IUPAC2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
SMILESCNc1c(C)cc(-c2ccccc2)nc1SC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-14-13-17(15-9-5-3-6-10-15)23-20(18(14)22-2)26-19(21(24)25)16-11-7-4-8-12-16/h3-13,19,22H,1-2H3,(H,24,25)
InChIKeyWRKBJQAPUNPEGQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.02
Rot. Bonds6

About 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid

2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid (PubChem CID 143568576) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
PubChem CID143568576
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
SMILESCNc1c(C)cc(-c2ccccc2)nc1SC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-14-13-17(15-9-5-3-6-10-15)23-20(18(14)22-2)26-19(21(24)25)16-11-7-4-8-12-16/h3-13,19,22H,1-2H3,(H,24,25)
InChIKeyWRKBJQAPUNPEGQ-UHFFFAOYSA-N
XLogP5.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid 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-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
CID 143568493
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 3059947
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid
CID 3070920
(2R)-2-[2-[(S)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427660
2-[2-[carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 5066196
(2R)-2-[2-[(R)-carboxy(phenyl)methyl]sulfanyl-6-methylpyrimidin-4-yl]sulfanyl-2-phenylacetic acid
CID 42427658
2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270237
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1,2-diphenylethanone
CID 5177649
2-[[3-cyano-6-(3,4-dichlorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53269928
2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234
3,4-dimethyl-6-phenylpyridazine
CID 14040320

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid?
The IUPAC name of 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid (CID 143568576) is 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid.
What is the SMILES notation for 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid?
The canonical SMILES for 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid is CNc1c(C)cc(-c2ccccc2)nc1SC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid?
The InChIKey is WRKBJQAPUNPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-13-17(15-9-5-3-6-10-15)23-20(18(14)22-2)26-19(21(24)25)16-11-7-4-8-12-16/h3-13,19,22H,1-2H3,(H,24,25).
What are the key properties of 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid?
2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid has a molecular weight of 364.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-3-(methylamino)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid is sourced from PubChem (CID 143568576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).