N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide

C12H20N2OS — CID 65241174

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-5-13-8-12(15)14-7-11-6-9(2)10(3)16-11/h6,13H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyVRCJLOLUDZHFPR-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.98
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide (PubChem CID 65241174) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
PubChem CID65241174
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-5-13-8-12(15)14-7-11-6-9(2)10(3)16-11/h6,13H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyVRCJLOLUDZHFPR-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244076
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
2-[2-[(4,5-dimethylthiophen-2-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570047
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611713
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641591
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-(methylamino)propanamide
CID 65241720
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 65241372
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-morpholin-2-ylacetamide
CID 66429190
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107273159
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
CID 114332282

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide (CID 65241174) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide?
The InChIKey is VRCJLOLUDZHFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-5-13-8-12(15)14-7-11-6-9(2)10(3)16-11/h6,13H,4-5,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide has a molecular weight of 240.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 65241174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).