N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide

C18H23N2O4PS2 — CID 140893873

IUPACN-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSSCCNP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H23N2O4PS2/c1-16(21)19-12-14-26-27-15-13-20-25(22,23-17-8-4-2-5-9-17)24-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,19,21)(H,20,22)
InChIKeyJIXXTWWYJOBRPZ-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.36
Rot. Bonds12

About N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide

N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide (PubChem CID 140893873) has the molecular formula C18H23N2O4PS2 and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide
PubChem CID140893873
Molecular FormulaC18H23N2O4PS2
Molecular Weight426.50 g/mol
Exact Mass426.08
IUPAC NameN-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSSCCNP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H23N2O4PS2/c1-16(21)19-12-14-26-27-15-13-20-25(22,23-17-8-4-2-5-9-17)24-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,19,21)(H,20,22)
InChIKeyJIXXTWWYJOBRPZ-UHFFFAOYSA-N
XLogP4.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(diphenoxyphosphorylamino)butanoic acid
CID 164912358
2-(diphenoxyphosphorylamino)ethyl carbamimidothioate;hydrobromide
CID 24841656
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
phenyl 3-acetamidopropanoate
CID 13317977
2-(2-acetamidoethylsulfanyl)benzoic acid
CID 43241365
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide (CID 140893873) is N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide is CC(=O)NCCSSCCNP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide?
The InChIKey is JIXXTWWYJOBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O4PS2/c1-16(21)19-12-14-26-27-15-13-20-25(22,23-17-8-4-2-5-9-17)24-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide?
N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 4.36, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diphenoxyphosphorylamino)ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 140893873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).