N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide

C15H22N2O2S — CID 43291327

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(C)CCC(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-10-7-11(2)12(3)13(8-10)19-9-15(18)17(4)6-5-14(16)20/h7-8H,5-6,9H2,1-4H3,(H2,16,20)
InChIKeyXRCXFWGSNDRXSG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.13
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 43291327) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID43291327
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(C)CCC(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-10-7-11(2)12(3)13(8-10)19-9-15(18)17(4)6-5-14(16)20/h7-8H,5-6,9H2,1-4H3,(H2,16,20)
InChIKeyXRCXFWGSNDRXSG-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 43291162
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 43291238
N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 78767913
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
N-(3-amino-3-sulfanylidenepropyl)-3-(4-bromo-2,5-dichlorophenoxy)-N-methylpropanamide
CID 107658202
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63287161
methyl 3-[[2-(2-chloro-5-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032213
N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 887503
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
CID 55163804

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide (CID 43291327) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)N(C)CCC(N)=S)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is XRCXFWGSNDRXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-7-11(2)12(3)13(8-10)19-9-15(18)17(4)6-5-14(16)20/h7-8H,5-6,9H2,1-4H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 43291327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).