N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide

C13H21N3O2S — CID 51362734

IUPACN-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCN(C)CCNC(=O)CCC(=O)NCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-16(2)8-7-14-12(17)5-6-13(18)15-10-11-4-3-9-19-11/h3-4,9H,5-8,10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyHEMLMENACXAAPY-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.82
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide

N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide (PubChem CID 51362734) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
PubChem CID51362734
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
SMILESCN(C)CCNC(=O)CCC(=O)NCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-16(2)8-7-14-12(17)5-6-13(18)15-10-11-4-3-9-19-11/h3-4,9H,5-8,10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyHEMLMENACXAAPY-UHFFFAOYSA-N
XLogP0.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
CID 3296654
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
4-(3,4-dimethylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 35009611
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 91841122
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide (CID 51362734) is N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide is CN(C)CCNC(=O)CCC(=O)NCc1cccs1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide?
The InChIKey is HEMLMENACXAAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(2)8-7-14-12(17)5-6-13(18)15-10-11-4-3-9-19-11/h3-4,9H,5-8,10H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide?
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide has a molecular weight of 283.40 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide is sourced from PubChem (CID 51362734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).