N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide

C25H28N2OS2 — CID 89114679

IUPACN-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide
SMILESO=C(CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCS
InChIInChI=1S/C25H28N2OS2/c28-24(27-16-18-29)20-26-17-19-30-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,26,29H,16-20H2,(H,27,28)
InChIKeySOPFTANJJWPSCS-UHFFFAOYSA-N
MW436.65 g/mol
LogP4.35
Rot. Bonds11

About N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide

N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide (PubChem CID 89114679) has the molecular formula C25H28N2OS2 and a molecular weight of 436.65 g/mol. Its IUPAC name is N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide
PubChem CID89114679
Molecular FormulaC25H28N2OS2
Molecular Weight436.65 g/mol
Exact Mass436.16
IUPAC NameN-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide
SMILESO=C(CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCS
InChIInChI=1S/C25H28N2OS2/c28-24(27-16-18-29)20-26-17-19-30-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,26,29H,16-20H2,(H,27,28)
InChIKeySOPFTANJJWPSCS-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.65
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(2-tritylsulfanylethylamino)acetamide
CID 140602369
2-[[2-(chloromethyl)-4-tritylsulfanylbutyl]amino]-N-(2-tritylsulfanylethyl)acetamide
CID 68637331
2-oxo-2-(2-tritylsulfanylethylamino)acetic acid
CID 11143657
ethyl (2R)-3-tritylsulfanyl-2-[[2-(2-tritylsulfanylethylamino)acetyl]amino]propanoate
CID 70282038
2-tritylsulfanylethanethiol
CID 59035458
2-[6-(1,3-dihydroisoindol-2-yl)hexyl-(2-tritylsulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 89114676
2-[2-(diethylamino)ethyl-(2-tritylsulfanylethyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 11828805
2-[bromomethyl(propyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 89114615
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(5-tritylsulfanylpentylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 71533816
methyl 3-[[2-oxo-2-(2-tritylsulfanylethylamino)ethyl]-(2-tritylsulfanylethyl)amino]propanoate
CID 10628965
1-hydroxy-6-tritylsulfanylhexan-2-one
CID 59179865
N-acetyl-2-tritylsulfanylacetamide
CID 12837901

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide?
The IUPAC name of N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide (CID 89114679) is N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide?
The canonical SMILES for N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide is O=C(CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCS.
What is the InChIKey of N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide?
The InChIKey is SOPFTANJJWPSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2OS2/c28-24(27-16-18-29)20-26-17-19-30-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,26,29H,16-20H2,(H,27,28).
What are the key properties of N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide?
N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide has a molecular weight of 436.65 g/mol, XLogP of 4.35, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide is sourced from PubChem (CID 89114679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).