N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide

C16H24N2O2S — CID 43291261

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)N(C)CCC(N)=S)cc1
InChIInChI=1S/C16H24N2O2S/c1-12(2)13-4-6-14(7-5-13)20-11-9-16(19)18(3)10-8-15(17)21/h4-7,12H,8-11H2,1-3H3,(H2,17,21)
InChIKeySFAIKVNBLRQKED-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.71
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide (PubChem CID 43291261) 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-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide
PubChem CID43291261
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)N(C)CCC(N)=S)cc1
InChIInChI=1S/C16H24N2O2S/c1-12(2)13-4-6-14(7-5-13)20-11-9-16(19)18(3)10-8-15(17)21/h4-7,12H,8-11H2,1-3H3,(H2,17,21)
InChIKeySFAIKVNBLRQKED-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'}

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide
CID 43291263
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
2-(4-propan-2-ylphenoxy)ethanethioamide
CID 7745462
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
N-(3-amino-3-sulfanylidenepropyl)-3-(4-bromo-2,5-dichlorophenoxy)-N-methylpropanamide
CID 107658202

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide (CID 43291261) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide is CC(C)c1ccc(OCCC(=O)N(C)CCC(N)=S)cc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is SFAIKVNBLRQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)13-4-6-14(7-5-13)20-11-9-16(19)18(3)10-8-15(17)21/h4-7,12H,8-11H2,1-3H3,(H2,17,21).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-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-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43291261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).