N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C8H8F3NO3S — CID 69255547

IUPACN-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7NOS.C2HF3O2/c1-7-6(8)5-3-2-4-9-5;3-2(4,5)1(6)7/h2-4H,1H3,(H,7,8);(H,6,7)
InChIKeyJIYYNZJSHGIQFK-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.74
Rot. Bonds1

About N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69255547) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69255547
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC NameN-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7NOS.C2HF3O2/c1-7-6(8)5-3-2-4-9-5;3-2(4,5)1(6)7/h2-4H,1H3,(H,7,8);(H,6,7)
InChIKeyJIYYNZJSHGIQFK-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
2-[(5-Methylthiophen-2-yl)formamido]acetic acid
CID 2392412
N-methylthiophene-2-carboxamide
CID 819552
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
Thenoyl methionate
CID 40542948
2-[4-Methyl-2-[(5-methylthiophene-2-carbonyl)amino]pentyl]sulfanylacetic acid
CID 23316641
N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
CID 23548730
N-butylthiophene-2-carboxamide
CID 4278024
N-isobutyl-2-thiophenecarboxamide
CID 835469
N-isopentyl-2-thiophenecarboxamide
CID 835970

Frequently Asked Questions

What is the IUPAC name of N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 69255547) is N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)c1cccs1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JIYYNZJSHGIQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS.C2HF3O2/c1-7-6(8)5-3-2-4-9-5;3-2(4,5)1(6)7/h2-4H,1H3,(H,7,8);(H,6,7).
What are the key properties of N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 255.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69255547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).