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

C19H20N4OS2 — CID 134433602

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cccc(NCc3cccs3)c2)n1
InChIInChI=1S/C19H20N4OS2/c1-13-9-14(2)22-19(21-13)26-12-18(24)23-16-6-3-5-15(10-16)20-11-17-7-4-8-25-17/h3-10,20H,11-12H2,1-2H3,(H,23,24)
InChIKeySZJGVHWWWCLFAH-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.50
Rot. Bonds7

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide (PubChem CID 134433602) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide
PubChem CID134433602
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cccc(NCc3cccs3)c2)n1
InChIInChI=1S/C19H20N4OS2/c1-13-9-14(2)22-19(21-13)26-12-18(24)23-16-6-3-5-15(10-16)20-11-17-7-4-8-25-17/h3-10,20H,11-12H2,1-2H3,(H,23,24)
InChIKeySZJGVHWWWCLFAH-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide (CID 134433602) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide is Cc1cc(C)nc(SCC(=O)Nc2cccc(NCc3cccs3)c2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide?
The InChIKey is SZJGVHWWWCLFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-13-9-14(2)22-19(21-13)26-12-18(24)23-16-6-3-5-15(10-16)20-11-17-7-4-8-25-17/h3-10,20H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide has a molecular weight of 384.53 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 134433602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).