N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide

C9H9F3N2O2S — CID 10244631

IUPACN-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide
SMILESCNC(=O)c1csc(CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2S/c1-13-7(15)5-2-6(17-4-5)3-14-8(16)9(10,11)12/h2,4H,3H2,1H3,(H,13,15)(H,14,16)
InChIKeyRSHUXWPDNREGKV-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.29
Rot. Bonds3

About N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide

N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 10244631) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide
PubChem CID10244631
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide
SMILESCNC(=O)c1csc(CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2S/c1-13-7(15)5-2-6(17-4-5)3-14-8(16)9(10,11)12/h2,4H,3H2,1H3,(H,13,15)(H,14,16)
InChIKeyRSHUXWPDNREGKV-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide (CID 10244631) is N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide is CNC(=O)c1csc(CNC(=O)C(F)(F)F)c1.
What is the InChIKey of N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is RSHUXWPDNREGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-13-7(15)5-2-6(17-4-5)3-14-8(16)9(10,11)12/h2,4H,3H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide?
N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(2,2,2-trifluoroacetyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 10244631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).