2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide

C21H21N3O2S — CID 134433632

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cccc(C(O)c3ccccc3)c2)n1
InChIInChI=1S/C21H21N3O2S/c1-14-11-15(2)23-21(22-14)27-13-19(25)24-18-10-6-9-17(12-18)20(26)16-7-4-3-5-8-16/h3-12,20,26H,13H2,1-2H3,(H,24,25)
InChIKeyMVRDRKDTQDNRBF-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.91
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide (PubChem CID 134433632) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide
PubChem CID134433632
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cccc(C(O)c3ccccc3)c2)n1
InChIInChI=1S/C21H21N3O2S/c1-14-11-15(2)23-21(22-14)27-13-19(25)24-18-10-6-9-17(12-18)20(26)16-7-4-3-5-8-16/h3-12,20,26H,13H2,1-2H3,(H,24,25)
InChIKeyMVRDRKDTQDNRBF-UHFFFAOYSA-N
XLogP3.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide (CID 134433632) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2cccc(C(O)c3ccccc3)c2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide?
The InChIKey is MVRDRKDTQDNRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-11-15(2)23-21(22-14)27-13-19(25)24-18-10-6-9-17(12-18)20(26)16-7-4-3-5-8-16/h3-12,20,26H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[hydroxy(phenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 134433632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).