N,N-di(nonyl)-2-phenylsulfanylacetamide

C26H45NOS — CID 532875

IUPACN,N-di(nonyl)-2-phenylsulfanylacetamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CSc1ccccc1
InChIInChI=1S/C26H45NOS/c1-3-5-7-9-11-13-18-22-27(23-19-14-12-10-8-6-4-2)26(28)24-29-25-20-16-15-17-21-25/h15-17,20-21H,3-14,18-19,22-24H2,1-2H3
InChIKeyUVWOPRXNFHKUBZ-UHFFFAOYSA-N
MW419.72 g/mol
LogP8.11
Rot. Bonds19

About N,N-di(nonyl)-2-phenylsulfanylacetamide

N,N-di(nonyl)-2-phenylsulfanylacetamide (PubChem CID 532875) has the molecular formula C26H45NOS and a molecular weight of 419.72 g/mol. Its IUPAC name is N,N-di(nonyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-di(nonyl)-2-phenylsulfanylacetamide
PubChem CID532875
Molecular FormulaC26H45NOS
Molecular Weight419.72 g/mol
Exact Mass419.32
IUPAC NameN,N-di(nonyl)-2-phenylsulfanylacetamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)CSc1ccccc1
InChIInChI=1S/C26H45NOS/c1-3-5-7-9-11-13-18-22-27(23-19-14-12-10-8-6-4-2)26(28)24-29-25-20-16-15-17-21-25/h15-17,20-21H,3-14,18-19,22-24H2,1-2H3
InChIKeyUVWOPRXNFHKUBZ-UHFFFAOYSA-N
XLogP8.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.72
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(nonyl)-2-phenylsulfanylacetamide?
The IUPAC name of N,N-di(nonyl)-2-phenylsulfanylacetamide (CID 532875) is N,N-di(nonyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-di(nonyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-di(nonyl)-2-phenylsulfanylacetamide is CCCCCCCCCN(CCCCCCCCC)C(=O)CSc1ccccc1.
What is the InChIKey of N,N-di(nonyl)-2-phenylsulfanylacetamide?
The InChIKey is UVWOPRXNFHKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NOS/c1-3-5-7-9-11-13-18-22-27(23-19-14-12-10-8-6-4-2)26(28)24-29-25-20-16-15-17-21-25/h15-17,20-21H,3-14,18-19,22-24H2,1-2H3.
What are the key properties of N,N-di(nonyl)-2-phenylsulfanylacetamide?
N,N-di(nonyl)-2-phenylsulfanylacetamide has a molecular weight of 419.72 g/mol, XLogP of 8.11, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(nonyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).