2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide

C10H12FN3O2S — CID 79140915

IUPAC2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(N)c(F)c1
InChIInChI=1S/C10H12FN3O2S/c1-13-10(16)14-9(15)5-17-6-2-3-8(12)7(11)4-6/h2-4H,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyHWBZBYGFRHFYRI-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.96
Rot. Bonds3

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 79140915) has the molecular formula C10H12FN3O2S and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID79140915
Molecular FormulaC10H12FN3O2S
Molecular Weight257.29 g/mol
Exact Mass257.06
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc(N)c(F)c1
InChIInChI=1S/C10H12FN3O2S/c1-13-10(16)14-9(15)5-17-6-2-3-8(12)7(11)4-6/h2-4H,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyHWBZBYGFRHFYRI-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79141366
2-(4-amino-3-fluorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79141742
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
butyl 2-(4-amino-3-fluorophenyl)sulfanylacetate
CID 79141628
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]prop-2-enoic acid
CID 79140636
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
2-[[2-(4-amino-3-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 79130151
2-(4-amino-3-fluorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79130783
methyl 3-(4-amino-3-fluorophenyl)sulfanylpropanoate
CID 79141965

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 79140915) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is HWBZBYGFRHFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2S/c1-13-10(16)14-9(15)5-17-6-2-3-8(12)7(11)4-6/h2-4H,5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 257.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 79140915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).