N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide

C13H11FN2OS2 — CID 12982491

IUPACN-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
SMILESCc1ccc(NC(=S)C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C13H11FN2OS2/c1-8-2-7-11(19-8)16-13(18)12(17)15-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyAUVGGPIKTWNPHE-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.57
Rot. Bonds2

About N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide

N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide (PubChem CID 12982491) has the molecular formula C13H11FN2OS2 and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
PubChem CID12982491
Molecular FormulaC13H11FN2OS2
Molecular Weight294.38 g/mol
Exact Mass294.03
IUPAC NameN-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
SMILESCc1ccc(NC(=S)C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C13H11FN2OS2/c1-8-2-7-11(19-8)16-13(18)12(17)15-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyAUVGGPIKTWNPHE-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.57
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-chlorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide
CID 11151064
(E)-2-cyano-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7515380
(E)-N-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789521
2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 10130948
2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 5206285
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 55870041
N-[1-(4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 167062663
N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
CID 136625821
1-(4-fluorophenyl)-3-[[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 18270236
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide (CID 12982491) is N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide is Cc1ccc(NC(=S)C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
The InChIKey is AUVGGPIKTWNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS2/c1-8-2-7-11(19-8)16-13(18)12(17)15-10-5-3-9(14)4-6-10/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide?
N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide has a molecular weight of 294.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5-methylthiophen-2-yl)amino]-2-sulfanylideneacetamide is sourced from PubChem (CID 12982491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).