N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O2S — CID 86839979

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2O2S/c1-9-4-5-10(21-9)6-11(19)18(8-13(14,15)16)7-12(20)17(2)3/h4-5H,6-8H2,1-3H3
InChIKeyYUAHSZPNKQUWGC-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86839979) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86839979
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)s1
InChIInChI=1S/C13H17F3N2O2S/c1-9-4-5-10(21-9)6-11(19)18(8-13(14,15)16)7-12(20)17(2)3/h4-5H,6-8H2,1-3H3
InChIKeyYUAHSZPNKQUWGC-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 86839979) is N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)s1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YUAHSZPNKQUWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-9-4-5-10(21-9)6-11(19)18(8-13(14,15)16)7-12(20)17(2)3/h4-5H,6-8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 322.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86839979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).