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

C14H16F6N2O4S — CID 171927306

IUPACN-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(CN(C)C)NC(=O)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S.C2HF3O2/c1-7(6-17(2)3)16-11(19)9-5-4-8(20-9)10(18)12(13,14)15;3-2(4,5)1(6)7/h4-5,7H,6H2,1-3H3,(H,16,19);(H,6,7)
InChIKeyDPJZNUFVMJOYOV-UHFFFAOYSA-N
MW422.35 g/mol
LogP2.81
Rot. Bonds5

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

N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171927306) has the molecular formula C14H16F6N2O4S and a molecular weight of 422.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171927306
Molecular FormulaC14H16F6N2O4S
Molecular Weight422.35 g/mol
Exact Mass422.07
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(CN(C)C)NC(=O)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S.C2HF3O2/c1-7(6-17(2)3)16-11(19)9-5-4-8(20-9)10(18)12(13,14)15;3-2(4,5)1(6)7/h4-5,7H,6H2,1-3H3,(H,16,19);(H,6,7)
InChIKeyDPJZNUFVMJOYOV-UHFFFAOYSA-N
XLogP2.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
(2R)-2-amino-3-[(5-butylthiophene-2-carbonyl)amino]propanoic acid
CID 178304509
5-acetyl-N-(2-oxoazepan-3-yl)thiophene-2-carboxamide
CID 45818870
5-acetyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
CID 47018582
5-acetyl-N-(2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 47031109
5-acetyl-N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}thiophene-2-carboxamide
CID 70741636
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 71846765
5-Acetyl-N-[2-(2-oxo-1,3-oxazinan-3-YL)ethyl]thiophene-2-carboxamide
CID 91789282
N-[(5-acetylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 20449092
1-(2-Thienylcarbonyl)piperazine trifluoroacetate
CID 45595371
N-(2-oxopropyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 57620093
1-[5-(4-Acetylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
CID 67314774

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 171927306) is N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is CC(CN(C)C)NC(=O)c1ccc(C(=O)C(F)(F)F)s1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DPJZNUFVMJOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S.C2HF3O2/c1-7(6-17(2)3)16-11(19)9-5-4-8(20-9)10(18)12(13,14)15;3-2(4,5)1(6)7/h4-5,7H,6H2,1-3H3,(H,16,19);(H,6,7).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 422.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171927306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).