N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

C11H8F3NOS — CID 90142340

IUPACN-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C11H8F3NOS/c1-15-10(16)9-5-6-4-7(11(12,13)14)2-3-8(6)17-9/h2-5H,1H3,(H,15,16)
InChIKeyILAPHSUDUSGKPV-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.28
Rot. Bonds1

About N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide (PubChem CID 90142340) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
PubChem CID90142340
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC NameN-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C11H8F3NOS/c1-15-10(16)9-5-6-4-7(11(12,13)14)2-3-8(6)17-9/h2-5H,1H3,(H,15,16)
InChIKeyILAPHSUDUSGKPV-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[difluoro-[2-(methylcarbamoyl)-1-benzothiophen-5-yl]methyl]phosphonous acid;hexane
CID 156858510
N-methyl-5-prop-1-en-2-yl-1-benzothiophene-2-carboxamide
CID 143033342
5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 169171044
2-methyl-5-(trifluoromethyl)-1-benzothiophene
CID 58242584
2-iodo-5-(trifluoromethyl)-1-benzothiophene
CID 122476384
N-[2-[(3-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 170943917
N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 170943949
5-fluoro-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 55439102
5-(trifluoromethyl)-1-benzothiophen-2-amine
CID 134691946
5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
CID 169334216
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
[[difluoro-[2-(methylcarbamoyl)-1-benzothiophen-5-yl]methyl]-(methoxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;ethane;propan-2-yl formate
CID 169170745

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide (CID 90142340) is N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide is CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ILAPHSUDUSGKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-15-10(16)9-5-6-4-7(11(12,13)14)2-3-8(6)17-9/h2-5H,1H3,(H,15,16).
What are the key properties of N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide?
N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 259.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 90142340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).