N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide

C14H22N2O2S — CID 47297770

IUPACN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC(C)c1cc(C)sc1C
InChIInChI=1S/C14H22N2O2S/c1-5-6-13(17)15-8-14(18)16-10(3)12-7-9(2)19-11(12)4/h7,10H,5-6,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyNYJPPAATLMGCHM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.46
Rot. Bonds6

About N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide

N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide (PubChem CID 47297770) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
PubChem CID47297770
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC(C)c1cc(C)sc1C
InChIInChI=1S/C14H22N2O2S/c1-5-6-13(17)15-8-14(18)16-10(3)12-7-9(2)19-11(12)4/h7,10H,5-6,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyNYJPPAATLMGCHM-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 75414577
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
3-(dimethylsulfamoyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propanamide
CID 75514559
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
CID 86931458
2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 79473033
(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566505
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide (CID 47297770) is N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NC(C)c1cc(C)sc1C.
What is the InChIKey of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide?
The InChIKey is NYJPPAATLMGCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-6-13(17)15-8-14(18)16-10(3)12-7-9(2)19-11(12)4/h7,10H,5-6,8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide?
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide has a molecular weight of 282.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 47297770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).