N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide

C16H19NO2S — CID 134056517

IUPACN-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
SMILESCc1ccsc1CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-13-9-11-20-15(13)12-17-16(18)8-5-10-19-14-6-3-2-4-7-14/h2-4,6-7,9,11H,5,8,10,12H2,1H3,(H,17,18)
InChIKeyXKBQLSMUUHVRGM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.53
Rot. Bonds7

About N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide

N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide (PubChem CID 134056517) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
PubChem CID134056517
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
SMILESCc1ccsc1CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C16H19NO2S/c1-13-9-11-20-15(13)12-17-16(18)8-5-10-19-14-6-3-2-4-7-14/h2-4,6-7,9,11H,5,8,10,12H2,1H3,(H,17,18)
InChIKeyXKBQLSMUUHVRGM-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide 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-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 134056527
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 110443440
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide (CID 134056517) is N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide is Cc1ccsc1CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide?
The InChIKey is XKBQLSMUUHVRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-9-11-20-15(13)12-17-16(18)8-5-10-19-14-6-3-2-4-7-14/h2-4,6-7,9,11H,5,8,10,12H2,1H3,(H,17,18).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide?
N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide has a molecular weight of 289.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 134056517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).