N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide

C14H16N2OS — CID 6492102

IUPACN-[4-(thiophen-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-14(17)16-12-7-5-11(6-8-12)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyQEDZOWBVVYTRPH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide

N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide (PubChem CID 6492102) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(thiophen-2-ylmethylamino)phenyl]propanamide
PubChem CID6492102
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[4-(thiophen-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-14(17)16-12-7-5-11(6-8-12)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyQEDZOWBVVYTRPH-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide (CID 6492102) is N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NCc2cccs2)cc1.
What is the InChIKey of N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide?
The InChIKey is QEDZOWBVVYTRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-14(17)16-12-7-5-11(6-8-12)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3,(H,16,17).
What are the key properties of N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide?
N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide has a molecular weight of 260.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiophen-2-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 6492102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).