N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide

C14H16N2OS — CID 28661932

IUPACN-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2cccs2)c1
InChIInChI=1S/C14H16N2OS/c1-2-14(17)16-12-6-3-5-11(9-12)15-10-13-7-4-8-18-13/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyPVMUFZNRKOOSQI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.71
Rot. Bonds5

About N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide

N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide (PubChem CID 28661932) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
PubChem CID28661932
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2cccs2)c1
InChIInChI=1S/C14H16N2OS/c1-2-14(17)16-12-6-3-5-11(9-12)15-10-13-7-4-8-18-13/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyPVMUFZNRKOOSQI-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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Related Compounds

3-(thiophen-2-ylmethylamino)benzoate
CID 6954625
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
CID 28711815
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide (CID 28661932) is N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NCc2cccs2)c1.
What is the InChIKey of N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide?
The InChIKey is PVMUFZNRKOOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-14(17)16-12-6-3-5-11(9-12)15-10-13-7-4-8-18-13/h3-9,15H,2,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide?
N-[3-(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-[3-(thiophen-2-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 28661932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).