4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

C9H9F3N2O2S — CID 922256

IUPAC4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(F)(F)F)c(C(N)=O)c1C
InChIInChI=1S/C9H9F3N2O2S/c1-3-4(2)17-7(5(3)6(13)15)14-8(16)9(10,11)12/h1-2H3,(H2,13,15)(H,14,16)
InChIKeyTXKRFUUKPRNVCZ-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.96
Rot. Bonds2

About 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 922256) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID922256
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(F)(F)F)c(C(N)=O)c1C
InChIInChI=1S/C9H9F3N2O2S/c1-3-4(2)17-7(5(3)6(13)15)14-8(16)9(10,11)12/h1-2H3,(H2,13,15)(H,14,16)
InChIKeyTXKRFUUKPRNVCZ-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,5-dimethylthiophene-3-carboxamide
CID 592827
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 678521
2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3000134
4-{[3-(Aminocarbonyl)-4-ethyl-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid
CID 844711
2-[(2,2-dimethylpropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3260381
Methyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobutanoate
CID 649731
Methyl [4-ethyl-5-methyl-3-(1-piperidinylcarbonyl)-2-thienyl]carbamate
CID 1245049
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251
2-(Acetylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 2931986
2-Propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 794754
2-(Cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1222492
2-(pentanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2941851

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 922256) is 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is Cc1sc(NC(=O)C(F)(F)F)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is TXKRFUUKPRNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-3-4(2)17-7(5(3)6(13)15)14-8(16)9(10,11)12/h1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 922256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).