2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide

C11H18N2OS — CID 43399922

IUPAC2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(C)s1
InChIInChI=1S/C11H18N2OS/c1-3-6-13-11(14)8-12-7-10-5-4-9(2)15-10/h4-5,12H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyLXUQLXYRLKTIDB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.67
Rot. Bonds6

About 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide

2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide (PubChem CID 43399922) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
PubChem CID43399922
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(C)s1
InChIInChI=1S/C11H18N2OS/c1-3-6-13-11(14)8-12-7-10-5-4-9(2)15-10/h4-5,12H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyLXUQLXYRLKTIDB-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide
CID 62054169
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
2-[[5-(4-nitrophenyl)thiophen-2-yl]methylamino]-N-propylacetamide
CID 119107804
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103238410
methyl 3-[(5-methylthiophen-2-yl)methylamino]propanoate
CID 43139690
2-(1,2-oxazol-5-ylmethylamino)-N-propylacetamide
CID 103605856
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81498910
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide (CID 43399922) is 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1ccc(C)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide?
The InChIKey is LXUQLXYRLKTIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-6-13-11(14)8-12-7-10-5-4-9(2)15-10/h4-5,12H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide?
2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide has a molecular weight of 226.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide is sourced from PubChem (CID 43399922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).