N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide

C14H20FN3OS — CID 43290526

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC(N)=S)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN3OS/c1-17(9-11-4-3-5-12(15)8-11)10-14(19)18(2)7-6-13(16)20/h3-5,8H,6-7,9-10H2,1-2H3,(H2,16,20)
InChIKeyVFKKHDSJUMFDMI-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.39
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 43290526) has the molecular formula C14H20FN3OS and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
PubChem CID43290526
Molecular FormulaC14H20FN3OS
Molecular Weight297.40 g/mol
Exact Mass297.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC(N)=S)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN3OS/c1-17(9-11-4-3-5-12(15)8-11)10-14(19)18(2)7-6-13(16)20/h3-5,8H,6-7,9-10H2,1-2H3,(H2,16,20)
InChIKeyVFKKHDSJUMFDMI-UHFFFAOYSA-N
XLogP1.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.39
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

2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-(3-amino-3-sulfanylidenepropyl)-2-[(4-bromophenyl)methyl-methylamino]-N-methylacetamide
CID 61415492
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 43527556
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 78894500
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56810268
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide (CID 43290526) is N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide is CN(CC(=O)N(C)CCC(N)=S)Cc1cccc(F)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is VFKKHDSJUMFDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS/c1-17(9-11-4-3-5-12(15)8-11)10-14(19)18(2)7-6-13(16)20/h3-5,8H,6-7,9-10H2,1-2H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 297.40 g/mol, XLogP of 1.39, 7 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)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43290526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).