N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide

C14H20N2OS — CID 54987956

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
SMILESCCN(CC(C)C(N)=S)C(=O)Cc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-3-16(10-11(2)14(15)18)13(17)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H2,15,18)
InChIKeyLMQPYYJGSOODFL-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.00
Rot. Bonds6

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide (PubChem CID 54987956) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
PubChem CID54987956
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
SMILESCCN(CC(C)C(N)=S)C(=O)Cc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-3-16(10-11(2)14(15)18)13(17)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H2,15,18)
InChIKeyLMQPYYJGSOODFL-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 55067661
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 62538346
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892916
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 62388710
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-N-ethyl-6-fluorobenzamide
CID 114559245
3-(N-ethylanilino)-2-methylpropanethioamide
CID 43367738
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide (CID 54987956) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide is CCN(CC(C)C(N)=S)C(=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
The InChIKey is LMQPYYJGSOODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-16(10-11(2)14(15)18)13(17)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H2,15,18).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide has a molecular weight of 264.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 54987956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).