N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C12H15F3N2O2S — CID 87353265

IUPACN-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C12H15F3N2O2S/c1-7(6-17(2)3)16-11(19)9-5-4-8(20-9)10(18)12(13,14)15/h4-5,7H,6H2,1-3H3,(H,16,19)
InChIKeyHMARWPDOEZNLDK-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.17
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 87353265) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID87353265
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C12H15F3N2O2S/c1-7(6-17(2)3)16-11(19)9-5-4-8(20-9)10(18)12(13,14)15/h4-5,7H,6H2,1-3H3,(H,16,19)
InChIKeyHMARWPDOEZNLDK-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 87353265) is N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CC(CN(C)C)NC(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is HMARWPDOEZNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-7(6-17(2)3)16-11(19)9-5-4-8(20-9)10(18)12(13,14)15/h4-5,7H,6H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 87353265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).