N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide

C14H23N3O2S — CID 61423754

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC(N)=S)Cc1ccco1
InChIInChI=1S/C14H23N3O2S/c1-3-17(11-12-5-4-10-19-12)9-7-14(18)16(2)8-6-13(15)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,15,20)
InChIKeyZYPMSTRLGFLMRS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.63
Rot. Bonds9

About N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide (PubChem CID 61423754) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
PubChem CID61423754
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC(N)=S)Cc1ccco1
InChIInChI=1S/C14H23N3O2S/c1-3-17(11-12-5-4-10-19-12)9-7-14(18)16(2)8-6-13(15)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,15,20)
InChIKeyZYPMSTRLGFLMRS-UHFFFAOYSA-N
XLogP1.63
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide 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

3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-(3-amino-3-sulfanylidenepropyl)-3-[(2-fluorophenyl)methyl-methylamino]-N-methylpropanamide
CID 61412837
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide (CID 61423754) is N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide is CCN(CCC(=O)N(C)CCC(N)=S)Cc1ccco1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide?
The InChIKey is ZYPMSTRLGFLMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17(11-12-5-4-10-19-12)9-7-14(18)16(2)8-6-13(15)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,15,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 61423754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).