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

C13H18N2OS — CID 54988366

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
SMILESCCN(CCC(N)=S)C(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2OS/c1-2-15(9-8-12(14)17)13(16)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,14,17)
InChIKeyXASSBNDIGDEUBH-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.75
Rot. Bonds6

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

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide (PubChem CID 54988366) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
PubChem CID54988366
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
SMILESCCN(CCC(N)=S)C(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2OS/c1-2-15(9-8-12(14)17)13(16)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,14,17)
InChIKeyXASSBNDIGDEUBH-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.75
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-3-sulfanylidenepropyl)-2-(4-bromophenyl)-N-ethylacetamide
CID 54988811
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 54988516
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602684
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide (CID 54988366) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide is CCN(CCC(N)=S)C(=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
The InChIKey is XASSBNDIGDEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-15(9-8-12(14)17)13(16)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,14,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide has a molecular weight of 250.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 54988366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).