2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide

C13H11FN2O2S — CID 3356370

IUPAC2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2S/c1-15-12(18)10-6-7-19-13(10)16-11(17)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,18)(H,16,17)
InChIKeyKESPDBNPVPTXFT-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.50
Rot. Bonds3

About 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide

2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide (PubChem CID 3356370) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
PubChem CID3356370
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2S/c1-15-12(18)10-6-7-19-13(10)16-11(17)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,18)(H,16,17)
InChIKeyKESPDBNPVPTXFT-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 7141428
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
N-methyl-2-(pentanoylamino)thiophene-3-carboxamide
CID 7167243
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 12006182
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 16815510

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide (CID 3356370) is 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
The InChIKey is KESPDBNPVPTXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-15-12(18)10-6-7-19-13(10)16-11(17)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide?
2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 3356370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).