3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide

C15H18N2O2S — CID 43676520

IUPAC3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide
SMILESCc1ccc(CNc2ccc(OCCC(N)=O)cc2)s1
InChIInChI=1S/C15H18N2O2S/c1-11-2-7-14(20-11)10-17-12-3-5-13(6-4-12)19-9-8-15(16)18/h2-7,17H,8-10H2,1H3,(H2,16,18)
InChIKeyHANUZIVMSVCUKW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.92
Rot. Bonds7

About 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide

3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide (PubChem CID 43676520) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide
PubChem CID43676520
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide
SMILESCc1ccc(CNc2ccc(OCCC(N)=O)cc2)s1
InChIInChI=1S/C15H18N2O2S/c1-11-2-7-14(20-11)10-17-12-3-5-13(6-4-12)19-9-8-15(16)18/h2-7,17H,8-10H2,1H3,(H2,16,18)
InChIKeyHANUZIVMSVCUKW-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 60944044
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
N-[4-(2-hydroxyethoxy)phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111116175
3-[4-[[2-(aminomethyl)-3-methylbutyl]amino]phenoxy]propanamide
CID 107441432
3-[4-(cyclohexylmethylamino)phenoxy]propanamide
CID 43676559
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide (CID 43676520) is 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide is Cc1ccc(CNc2ccc(OCCC(N)=O)cc2)s1.
What is the InChIKey of 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide?
The InChIKey is HANUZIVMSVCUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-2-7-14(20-11)10-17-12-3-5-13(6-4-12)19-9-8-15(16)18/h2-7,17H,8-10H2,1H3,(H2,16,18).
What are the key properties of 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide?
3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methylthiophen-2-yl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 43676520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).