2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide

C11H18N2OS — CID 65244076

IUPAC2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1cc(C)c(C)s1
InChIInChI=1S/C11H18N2OS/c1-4-13-11(14)7-12-6-10-5-8(2)9(3)15-10/h5,12H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyHHUZSKUEWUBCQW-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.59
Rot. Bonds5

About 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide

2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide (PubChem CID 65244076) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
PubChem CID65244076
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1cc(C)c(C)s1
InChIInChI=1S/C11H18N2OS/c1-4-13-11(14)7-12-6-10-5-8(2)9(3)15-10/h5,12H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyHHUZSKUEWUBCQW-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
CID 65241174
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 65243483
N-cyclopropyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244209
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106437836
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669
2-[2-[(4,5-dimethylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570047
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
CID 102831548
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide (CID 65244076) is 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1cc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide?
The InChIKey is HHUZSKUEWUBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-13-11(14)7-12-6-10-5-8(2)9(3)15-10/h5,12H,4,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide?
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide has a molecular weight of 226.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 65244076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).