2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide

C15H16FN3O2S — CID 71992346

IUPAC2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide
SMILESCN(CCc1cccs1)C(=O)Nc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C15H16FN3O2S/c1-19(7-6-11-3-2-8-22-11)15(21)18-10-4-5-12(14(17)20)13(16)9-10/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,21)
InChIKeyNQTQHDISDZXWRV-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.69
Rot. Bonds5

About 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide

2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide (PubChem CID 71992346) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide
PubChem CID71992346
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide
SMILESCN(CCc1cccs1)C(=O)Nc1ccc(C(N)=O)c(F)c1
InChIInChI=1S/C15H16FN3O2S/c1-19(7-6-11-3-2-8-22-11)15(21)18-10-4-5-12(14(17)20)13(16)9-10/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,21)
InChIKeyNQTQHDISDZXWRV-UHFFFAOYSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837
2-fluoro-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]benzoic acid
CID 107796340
2-fluoro-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]benzoic acid
CID 107796357
2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 113319885
4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
CID 79475551
1-methyl-1-(2-thiophen-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 71992128
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
2-fluoro-4-(thiophen-2-ylmethylamino)benzenecarbothioamide
CID 113295803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide?
The IUPAC name of 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide (CID 71992346) is 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide?
The canonical SMILES for 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide is CN(CCc1cccs1)C(=O)Nc1ccc(C(N)=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide?
The InChIKey is NQTQHDISDZXWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-19(7-6-11-3-2-8-22-11)15(21)18-10-4-5-12(14(17)20)13(16)9-10/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide?
2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide is sourced from PubChem (CID 71992346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).