3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide

C19H24N2O3S — CID 46690393

IUPAC3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCCOc1cccc(C)c1)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-14-6-3-7-16(12-14)24-10-5-9-20-19(23)13-17(21-15(2)22)18-8-4-11-25-18/h3-4,6-8,11-12,17H,5,9-10,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFLCXIOJYANIHNZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.21
Rot. Bonds9

About 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide (PubChem CID 46690393) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide
PubChem CID46690393
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCCCOc1cccc(C)c1)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-14-6-3-7-16(12-14)24-10-5-9-20-19(23)13-17(21-15(2)22)18-8-4-11-25-18/h3-4,6-8,11-12,17H,5,9-10,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFLCXIOJYANIHNZ-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-methylphenoxy)propyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974850
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864787
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8868659
(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
2-[2-(3-methylphenoxy)ethylamino]-1-thiophen-2-ylethanol
CID 55012484
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-3-methoxypropanoic acid
CID 81085010

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide (CID 46690393) is 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCCCOc1cccc(C)c1)c1cccs1.
What is the InChIKey of 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide?
The InChIKey is FLCXIOJYANIHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-6-3-7-16(12-14)24-10-5-9-20-19(23)13-17(21-15(2)22)18-8-4-11-25-18/h3-4,6-8,11-12,17H,5,9-10,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46690393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).