N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide

C16H24N2O2S — CID 43291263

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1cccc(OCCC(=O)N(C)CCC(N)=S)c1
InChIInChI=1S/C16H24N2O2S/c1-12(2)13-5-4-6-14(11-13)20-10-8-16(19)18(3)9-7-15(17)21/h4-6,11-12H,7-10H2,1-3H3,(H2,17,21)
InChIKeyBSTRFWPVDVXZKL-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.71
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide (PubChem CID 43291263) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide
PubChem CID43291263
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1cccc(OCCC(=O)N(C)CCC(N)=S)c1
InChIInChI=1S/C16H24N2O2S/c1-12(2)13-5-4-6-14(11-13)20-10-8-16(19)18(3)9-7-15(17)21/h4-6,11-12H,7-10H2,1-3H3,(H2,17,21)
InChIKeyBSTRFWPVDVXZKL-UHFFFAOYSA-N
XLogP2.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.71
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-3-(4-propan-2-ylphenoxy)propanamide
CID 43291261
1-chloro-4-(3-propan-2-ylphenoxy)butan-2-one
CID 92931897
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570
3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide
CID 119661293
N-(2-hydroxypropyl)-N-methyl-2-(3-propan-2-ylphenoxy)acetamide
CID 55060918
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
CID 43793564
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide (CID 43291263) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide is CC(C)c1cccc(OCCC(=O)N(C)CCC(N)=S)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is BSTRFWPVDVXZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)13-5-4-6-14(11-13)20-10-8-16(19)18(3)9-7-15(17)21/h4-6,11-12H,7-10H2,1-3H3,(H2,17,21).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 308.45 g/mol, XLogP of 2.71, 8 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-3-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43291263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).