N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide

C17H20N2O2S — CID 112997000

IUPACN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C17H20N2O2S/c1-3-13-7-4-6-12(2)17(13)19-16(21)11-18-15(20)10-14-8-5-9-22-14/h4-9H,3,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFTQNAPNUEAULOA-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 112997000) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID112997000
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESCCc1cccc(C)c1NC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C17H20N2O2S/c1-3-13-7-4-6-12(2)17(13)19-16(21)11-18-15(20)10-14-8-5-9-22-14/h4-9H,3,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyFTQNAPNUEAULOA-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 112997181
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 112997000) is N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide is CCc1cccc(C)c1NC(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is FTQNAPNUEAULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-3-13-7-4-6-12(2)17(13)19-16(21)11-18-15(20)10-14-8-5-9-22-14/h4-9H,3,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 316.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112997000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).