2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide

C11H13F2N3OS — CID 81286351

IUPAC2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1c(F)cc(C(N)=S)cc1F
InChIInChI=1S/C11H13F2N3OS/c1-2-15-9(17)5-16-10-7(12)3-6(11(14)18)4-8(10)13/h3-4,16H,2,5H2,1H3,(H2,14,18)(H,15,17)
InChIKeyJNMJSJPNLMGRKA-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.15
Rot. Bonds5

About 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide

2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide (PubChem CID 81286351) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide
PubChem CID81286351
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1c(F)cc(C(N)=S)cc1F
InChIInChI=1S/C11H13F2N3OS/c1-2-15-9(17)5-16-10-7(12)3-6(11(14)18)4-8(10)13/h3-4,16H,2,5H2,1H3,(H2,14,18)(H,15,17)
InChIKeyJNMJSJPNLMGRKA-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioyl-2,6-difluoroanilino)-N-propan-2-ylacetamide
CID 81286543
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
4-[2-(ethylsulfamoyl)ethylamino]-3,5-difluorobenzenecarbothioamide
CID 106339319
4-[(2-ethylphenyl)methylamino]-3,5-difluorobenzenecarbothioamide
CID 81286027
N-ethyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810089
3,5-difluoro-4-[[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 63187608
3,5-difluoro-4-(pentan-3-ylamino)benzenecarbothioamide
CID 81285853
4-(3-ethylpentan-3-ylamino)-3,5-difluorobenzenecarbothioamide
CID 81286665
N-ethyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812059
N-tert-butyl-2-(4-carbamothioyl-2-fluoroanilino)acetamide
CID 115356360
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide?
The IUPAC name of 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide (CID 81286351) is 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide is CCNC(=O)CNc1c(F)cc(C(N)=S)cc1F.
What is the InChIKey of 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide?
The InChIKey is JNMJSJPNLMGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c1-2-15-9(17)5-16-10-7(12)3-6(11(14)18)4-8(10)13/h3-4,16H,2,5H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide?
2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide has a molecular weight of 273.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2,6-difluoroanilino)-N-ethylacetamide is sourced from PubChem (CID 81286351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).