N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide

C11H14N2O2S — CID 62666698

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
SMILESNC(=S)CCNC(=O)COc1ccccc1
InChIInChI=1S/C11H14N2O2S/c12-10(16)6-7-13-11(14)8-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,16)(H,13,14)
InChIKeyLEBXUSNXMHMAAT-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.86
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide (PubChem CID 62666698) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
PubChem CID62666698
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
SMILESNC(=S)CCNC(=O)COc1ccccc1
InChIInChI=1S/C11H14N2O2S/c12-10(16)6-7-13-11(14)8-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,16)(H,13,14)
InChIKeyLEBXUSNXMHMAAT-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-phenoxy-N-(3-sulfamoylpropyl)acetamide
CID 47336951
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide (CID 62666698) is N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide is NC(=S)CCNC(=O)COc1ccccc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide?
The InChIKey is LEBXUSNXMHMAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-10(16)6-7-13-11(14)8-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,16)(H,13,14).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide has a molecular weight of 238.31 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide is sourced from PubChem (CID 62666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).