N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide

C14H20N2O2S — CID 54988516

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
SMILESCCN(CCC(N)=S)C(=O)Cc1ccccc1OC
InChIInChI=1S/C14H20N2O2S/c1-3-16(9-8-13(15)19)14(17)10-11-6-4-5-7-12(11)18-2/h4-7H,3,8-10H2,1-2H3,(H2,15,19)
InChIKeyCBLGJAOREVHKJG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.76
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide (PubChem CID 54988516) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
PubChem CID54988516
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
SMILESCCN(CCC(N)=S)C(=O)Cc1ccccc1OC
InChIInChI=1S/C14H20N2O2S/c1-3-16(9-8-13(15)19)14(17)10-11-6-4-5-7-12(11)18-2/h4-7H,3,8-10H2,1-2H3,(H2,15,19)
InChIKeyCBLGJAOREVHKJG-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.76
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-ethyl-2-phenylacetamide
CID 54988366
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 79381674
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
N-(3-amino-3-sulfanylidenepropyl)-2-(4-bromophenyl)-N-ethylacetamide
CID 54988811
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 54992117
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-fluoro-4-methoxybenzamide
CID 55131775
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide (CID 54988516) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide is CCN(CCC(N)=S)C(=O)Cc1ccccc1OC.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide?
The InChIKey is CBLGJAOREVHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16(9-8-13(15)19)14(17)10-11-6-4-5-7-12(11)18-2/h4-7H,3,8-10H2,1-2H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.76, 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)-N-ethyl-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 54988516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).