2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide

C44H42N2OS2 — CID 56617569

IUPAC2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide
SMILESNCC(=O)N(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H42N2OS2/c45-35-42(47)46(31-33-48-43(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)32-34-49-44(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30H,31-35,45H2
InChIKeyOUUJWXFEKICWAI-UHFFFAOYSA-N
MW678.97 g/mol
LogP9.22
Rot. Bonds15

About 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide

2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide (PubChem CID 56617569) has the molecular formula C44H42N2OS2 and a molecular weight of 678.97 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide
PubChem CID56617569
Molecular FormulaC44H42N2OS2
Molecular Weight678.97 g/mol
Exact Mass678.27
IUPAC Name2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide
SMILESNCC(=O)N(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H42N2OS2/c45-35-42(47)46(31-33-48-43(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)32-34-49-44(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30H,31-35,45H2
InChIKeyOUUJWXFEKICWAI-UHFFFAOYSA-N
XLogP9.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.97
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 22253944
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CID 10652671
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CID 11226412
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CID 11398048
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CID 11398716
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CID 11456665

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide?
The IUPAC name of 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide (CID 56617569) is 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide.
What is the SMILES notation for 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide?
The canonical SMILES for 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide is NCC(=O)N(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide?
The InChIKey is OUUJWXFEKICWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2OS2/c45-35-42(47)46(31-33-48-43(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)32-34-49-44(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30H,31-35,45H2.
What are the key properties of 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide?
2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide has a molecular weight of 678.97 g/mol, XLogP of 9.22, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-tritylsulfanylethyl)acetamide is sourced from PubChem (CID 56617569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).