N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide

C12H13F3N2O2S — CID 18145802

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2S/c1-2-16-10(18)7-17-11(19)8-3-5-9(6-4-8)20-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyYKDGZOWHUQANKS-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide

N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 18145802) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID18145802
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2S/c1-2-16-10(18)7-17-11(19)8-3-5-9(6-4-8)20-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyYKDGZOWHUQANKS-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 30598296
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007
N-(cyclopropen-1-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 158445206
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9224948
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24654315
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide (CID 18145802) is N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide is CCNC(=O)CNC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is YKDGZOWHUQANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c1-2-16-10(18)7-17-11(19)8-3-5-9(6-4-8)20-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 306.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 18145802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).