N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide

C14H14N2O2S2 — CID 43175462

IUPACN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESNC(=S)COc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H14N2O2S2/c15-13(19)9-18-11-5-3-10(4-6-11)16-14(17)8-12-2-1-7-20-12/h1-7H,8-9H2,(H2,15,19)(H,16,17)
InChIKeyOBAKNBJYHMSCRG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.59
Rot. Bonds6

About N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide

N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 43175462) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
PubChem CID43175462
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESNC(=S)COc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H14N2O2S2/c15-13(19)9-18-11-5-3-10(4-6-11)16-14(17)8-12-2-1-7-20-12/h1-7H,8-9H2,(H2,15,19)(H,16,17)
InChIKeyOBAKNBJYHMSCRG-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
CID 7799166
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
4-[4-[(2-thiophen-2-ylacetyl)amino]phenoxy]phthalic acid
CID 9323674
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
CID 62092047
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 23995581
N-[3-(2-aminoethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 28754992

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide (CID 43175462) is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide is NC(=S)COc1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OBAKNBJYHMSCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c15-13(19)9-18-11-5-3-10(4-6-11)16-14(17)8-12-2-1-7-20-12/h1-7H,8-9H2,(H2,15,19)(H,16,17).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 43175462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).