N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide

C12H20N2OS — CID 65241813

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-13-6-5-12(15)14-8-11-7-9(2)10(3)16-11/h7,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyFBUKJDPCJDIXMZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.98
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide (PubChem CID 65241813) 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]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
PubChem CID65241813
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C12H20N2OS/c1-4-13-6-5-12(15)14-8-11-7-9(2)10(3)16-11/h7,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyFBUKJDPCJDIXMZ-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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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide (CID 65241813) is N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide?
The InChIKey is FBUKJDPCJDIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-13-6-5-12(15)14-8-11-7-9(2)10(3)16-11/h7,13H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide 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]-3-(ethylamino)propanamide is sourced from PubChem (CID 65241813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).