2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide

C14H22N2O2S — CID 62051723

IUPAC2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)c1ccc(CC)s1
InChIInChI=1S/C14H22N2O2S/c1-3-5-8-16(10-14(15)18)9-12(17)13-7-6-11(4-2)19-13/h6-7H,3-5,8-10H2,1-2H3,(H2,15,18)
InChIKeyATFFQJATCHQIJX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.08
Rot. Bonds9

About 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide

2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide (PubChem CID 62051723) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide
PubChem CID62051723
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)c1ccc(CC)s1
InChIInChI=1S/C14H22N2O2S/c1-3-5-8-16(10-14(15)18)9-12(17)13-7-6-11(4-2)19-13/h6-7H,3-5,8-10H2,1-2H3,(H2,15,18)
InChIKeyATFFQJATCHQIJX-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-[2-(4-ethylphenyl)-2-oxoethyl]amino]acetamide
CID 62052887
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
N-(2-bromoethyl)-N-butyl-5-ethylthiophene-2-carboxamide
CID 80659849
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
2-[butyl-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]amino]acetamide
CID 62053081
2-[butyl-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]acetamide
CID 62053083
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 61434836

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide (CID 62051723) is 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)c1ccc(CC)s1.
What is the InChIKey of 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide?
The InChIKey is ATFFQJATCHQIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-5-8-16(10-14(15)18)9-12(17)13-7-6-11(4-2)19-13/h6-7H,3-5,8-10H2,1-2H3,(H2,15,18).
What are the key properties of 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide?
2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62051723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).