N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

C9H9F3N2O2S — CID 2807710

IUPACN,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(C)csc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c1-4-3-17-7(5(4)6(15)13-2)14-8(16)9(10,11)12/h3H,1-2H3,(H,13,15)(H,14,16)
InChIKeyMAVLSDNHEOJJBE-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.92
Rot. Bonds2

About N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 2807710) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID2807710
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(C)csc1NC(=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c1-4-3-17-7(5(4)6(15)13-2)14-8(16)9(10,11)12/h3H,1-2H3,(H,13,15)(H,14,16)
InChIKeyMAVLSDNHEOJJBE-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 2807710) is N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is CNC(=O)c1c(C)csc1NC(=O)C(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is MAVLSDNHEOJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-4-3-17-7(5(4)6(15)13-2)14-8(16)9(10,11)12/h3H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 2807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).