3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide

C12H11FN2OS — CID 61091716

IUPAC3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1sccc1N
InChIInChI=1S/C12H11FN2OS/c1-7-6-8(13)2-3-10(7)15-12(16)11-9(14)4-5-17-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyRTJSMUODZSSPLY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.03
Rot. Bonds2

About 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide

3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 61091716) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
PubChem CID61091716
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1sccc1N
InChIInChI=1S/C12H11FN2OS/c1-7-6-8(13)2-3-10(7)15-12(16)11-9(14)4-5-17-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyRTJSMUODZSSPLY-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-4,5-dimethylthiophene-3-carboxamide
CID 17069419
N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 150699383
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide (CID 61091716) is 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is RTJSMUODZSSPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-7-6-8(13)2-3-10(7)15-12(16)11-9(14)4-5-17-11/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide?
3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 61091716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).