N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide

C14H14N2OS2 — CID 61121759

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
SMILESNC(=S)C(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H14N2OS2/c15-14(18)13(10-5-2-1-3-6-10)16-12(17)9-11-7-4-8-19-11/h1-8,13H,9H2,(H2,15,18)(H,16,17)
InChIKeyVREVZIULBZBGHH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds5

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide (PubChem CID 61121759) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
PubChem CID61121759
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
SMILESNC(=S)C(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H14N2OS2/c15-14(18)13(10-5-2-1-3-6-10)16-12(17)9-11-7-4-8-19-11/h1-8,13H,9H2,(H2,15,18)(H,16,17)
InChIKeyVREVZIULBZBGHH-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-(4-methoxyphenyl)-2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetamide
CID 3378615
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
CID 61119625
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide (CID 61121759) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide is NC(=S)C(NC(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide?
The InChIKey is VREVZIULBZBGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c15-14(18)13(10-5-2-1-3-6-10)16-12(17)9-11-7-4-8-19-11/h1-8,13H,9H2,(H2,15,18)(H,16,17).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 61121759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).