2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C11H13ClF3N3O2S — CID 26579457

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClF3N3O2S/c1-18(4-7-2-3-8(12)21-7)5-9(19)17-10(20)16-6-11(13,14)15/h2-3H,4-6H2,1H3,(H2,16,17,19,20)
InChIKeyPZLNWJYSIAPWRQ-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.22
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 26579457) has the molecular formula C11H13ClF3N3O2S and a molecular weight of 343.76 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID26579457
Molecular FormulaC11H13ClF3N3O2S
Molecular Weight343.76 g/mol
Exact Mass343.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClF3N3O2S/c1-18(4-7-2-3-8(12)21-7)5-9(19)17-10(20)16-6-11(13,14)15/h2-3H,4-6H2,1H3,(H2,16,17,19,20)
InChIKeyPZLNWJYSIAPWRQ-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 26579457) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is PZLNWJYSIAPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2S/c1-18(4-7-2-3-8(12)21-7)5-9(19)17-10(20)16-6-11(13,14)15/h2-3H,4-6H2,1H3,(H2,16,17,19,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 343.76 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 26579457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).