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

C11H14F3N3O2S — CID 39162775

IUPACN-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C11H14F3N3O2S/c1-2-6-5-7(8(18)16-4-3-15)9(20-6)17-10(19)11(12,13)14/h5H,2-4,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDLMMUBQGROXHNQ-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.50
Rot. Bonds5

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

N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 39162775) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID39162775
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN)c(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C11H14F3N3O2S/c1-2-6-5-7(8(18)16-4-3-15)9(20-6)17-10(19)11(12,13)14/h5H,2-4,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDLMMUBQGROXHNQ-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
1-(3-((2-Aminoethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560912
2-Acetamido-5-propyl-3-thiophenecarboxamide
CID 1246587
1-(3-((2-(Methylamino)ethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560913
2-amino-N-cyclopropyl-5-(methylthiomethyl)thiophene-3-carboxamide
CID 53383648
N-[2-(dimethylamino)ethyl]-4,5-dimethyl-2-[(phenylcarbonyl)amino]thiophene-3-carboxamide
CID 792246
2-[(Cyclobutylcarbonyl)amino]-5-isopropyl-3-thiophenecarboxamide
CID 1245075
3-Thiophenecarboxamide, 2-[[[[(4-fluorophenyl)methyl](1-oxopropyl)amino]acetyl]amino]-4,5-dimethyl-
CID 1460377
2-benzamido-N-methylthiophene-3-carboxamide
CID 5309978
1-(3-((2-Aminoethyl)(methyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560935
2-amino-N-(4-fluorobenzyl)-5-isopropylthiophene-3-carboxamide
CID 53383645
2-(2-(2,4-Difluorophenyl)acetamido)thiophene-3-carboxamide
CID 54580173

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 39162775) is N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is CCc1cc(C(=O)NCCN)c(NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is DLMMUBQGROXHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-2-6-5-7(8(18)16-4-3-15)9(20-6)17-10(19)11(12,13)14/h5H,2-4,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 39162775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).