N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide

C19H25NO3S — CID 110416393

IUPACN-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCOCCCCNC(=O)C(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C19H25NO3S/c1-22-12-4-3-11-20-19(21)18(14-17-6-5-13-24-17)15-7-9-16(23-2)10-8-15/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H,20,21)
InChIKeyUXBAPMOFWLVSGF-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.63
Rot. Bonds10

About N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide

N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 110416393) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
PubChem CID110416393
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCOCCCCNC(=O)C(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C19H25NO3S/c1-22-12-4-3-11-20-19(21)18(14-17-6-5-13-24-17)15-7-9-16(23-2)10-8-15/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H,20,21)
InChIKeyUXBAPMOFWLVSGF-UHFFFAOYSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
2-amino-N-(4-methoxybutyl)-2-thiophen-2-ylacetamide
CID 115287104
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
(2R)-2-[(2-acetamidoacetyl)-(thiophen-2-ylmethyl)amino]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide
CID 40774336
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673940

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide (CID 110416393) is N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide is COCCCCNC(=O)C(Cc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is UXBAPMOFWLVSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-22-12-4-3-11-20-19(21)18(14-17-6-5-13-24-17)15-7-9-16(23-2)10-8-15/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H,20,21).
What are the key properties of N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide?
N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 347.48 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110416393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).