N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide

C23H25NO2S — CID 46465242

IUPACN-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c25-23(10-4-8-22-9-5-15-27-22)24-16-19-11-13-21(14-12-19)18-26-17-20-6-2-1-3-7-20/h1-3,5-7,9,11-15H,4,8,10,16-18H2,(H,24,25)
InChIKeyGHTCUZAVGLGVBL-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.10
Rot. Bonds10

About N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide

N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 46465242) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID46465242
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C23H25NO2S/c25-23(10-4-8-22-9-5-15-27-22)24-16-19-11-13-21(14-12-19)18-26-17-20-6-2-1-3-7-20/h1-3,5-7,9,11-15H,4,8,10,16-18H2,(H,24,25)
InChIKeyGHTCUZAVGLGVBL-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390
1-benzyl-3-(4-thiophen-2-ylbutanoylamino)thiourea
CID 26837309
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134035986

Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide (CID 46465242) is N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is GHTCUZAVGLGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c25-23(10-4-8-22-9-5-15-27-22)24-16-19-11-13-21(14-12-19)18-26-17-20-6-2-1-3-7-20/h1-3,5-7,9,11-15H,4,8,10,16-18H2,(H,24,25).
What are the key properties of N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide?
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 379.53 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 46465242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).