N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide

C18H19F3N2O2S — CID 18112770

IUPACN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCc1cccs1
InChIInChI=1S/C18H19F3N2O2S/c1-23(17(25)10-4-6-13-7-5-11-26-13)12-16(24)22-15-9-3-2-8-14(15)18(19,20)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,24)
InChIKeyLEPOZQPATJVLNM-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.19
Rot. Bonds7

About N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide

N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 18112770) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide
PubChem CID18112770
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC NameN-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCc1cccs1
InChIInChI=1S/C18H19F3N2O2S/c1-23(17(25)10-4-6-13-7-5-11-26-13)12-16(24)22-15-9-3-2-8-14(15)18(19,20)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,24)
InChIKeyLEPOZQPATJVLNM-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
3-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18112807
N-methyl-4-(5-methylthiophen-2-yl)-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9428704
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9426763
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
2-[[2-(benzenesulfonyl)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112779762
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-piperidin-1-ylacetamide
CID 27100580
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide (CID 18112770) is N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCc1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is LEPOZQPATJVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-23(17(25)10-4-6-13-7-5-11-26-13)12-16(24)22-15-9-3-2-8-14(15)18(19,20)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,24).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide?
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 384.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18112770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).