N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide

C17H28GeN2O2S2 — CID 16684695

IUPACN-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide
SMILESCC(=O)NCC(C)S[Ge](C)(SC(C)CNC(C)=O)c1ccccc1
InChIInChI=1S/C17H28GeN2O2S2/c1-13(11-19-15(3)21)23-18(5,17-9-7-6-8-10-17)24-14(2)12-20-16(4)22/h6-10,13-14H,11-12H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyZJPNWYSPCNCEPI-UHFFFAOYSA-N
MW429.17 g/mol
LogP2.48
Rot. Bonds9

About N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide

N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide (PubChem CID 16684695) has the molecular formula C17H28GeN2O2S2 and a molecular weight of 429.17 g/mol. Its IUPAC name is N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide
PubChem CID16684695
Molecular FormulaC17H28GeN2O2S2
Molecular Weight429.17 g/mol
Exact Mass430.08
IUPAC NameN-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide
SMILESCC(=O)NCC(C)S[Ge](C)(SC(C)CNC(C)=O)c1ccccc1
InChIInChI=1S/C17H28GeN2O2S2/c1-13(11-19-15(3)21)23-18(5,17-9-7-6-8-10-17)24-14(2)12-20-16(4)22/h6-10,13-14H,11-12H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyZJPNWYSPCNCEPI-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide?
The IUPAC name of N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide (CID 16684695) is N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide.
What is the SMILES notation for N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide?
The canonical SMILES for N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide is CC(=O)NCC(C)S[Ge](C)(SC(C)CNC(C)=O)c1ccccc1.
What is the InChIKey of N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide?
The InChIKey is ZJPNWYSPCNCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28GeN2O2S2/c1-13(11-19-15(3)21)23-18(5,17-9-7-6-8-10-17)24-14(2)12-20-16(4)22/h6-10,13-14H,11-12H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide?
N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide has a molecular weight of 429.17 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetamidopropan-2-ylsulfanyl-methyl-phenylgermyl)sulfanylpropyl]acetamide is sourced from PubChem (CID 16684695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).