N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide

C13H10F2N2OS2 — CID 2824814

IUPACN-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide
SMILESO=C(Nc1ccc(F)cc1F)C(=S)NCc1cccs1
InChIInChI=1S/C13H10F2N2OS2/c14-8-3-4-11(10(15)6-8)17-12(18)13(19)16-7-9-2-1-5-20-9/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyDXSKFWAZDOPOTM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide

N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 2824814) has the molecular formula C13H10F2N2OS2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID2824814
Molecular FormulaC13H10F2N2OS2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC NameN-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide
SMILESO=C(Nc1ccc(F)cc1F)C(=S)NCc1cccs1
InChIInChI=1S/C13H10F2N2OS2/c14-8-3-4-11(10(15)6-8)17-12(18)13(19)16-7-9-2-1-5-20-9/h1-6H,7H2,(H,16,19)(H,17,18)
InChIKeyDXSKFWAZDOPOTM-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
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

N-(4-fluorophenyl)-2-(2-thienyl)acetamide
CID 531783
N-[4-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 804072
N-(4-(((5-methylthiophen-2-yl)methyl)amino)phenyl)acetamide
CID 6492101
N-{4-[(2-thienylmethyl)amino]phenyl}propanamide
CID 6492102
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(2-fluorophenyl)-2-(thiophen-2-yl)acetamide
CID 532843
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4852470
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 2450658
N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 3239304
N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4318851

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide (CID 2824814) is N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide is O=C(Nc1ccc(F)cc1F)C(=S)NCc1cccs1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is DXSKFWAZDOPOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2OS2/c14-8-3-4-11(10(15)6-8)17-12(18)13(19)16-7-9-2-1-5-20-9/h1-6H,7H2,(H,16,19)(H,17,18).
What are the key properties of N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide?
N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-sulfanylidene-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 2824814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).