3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide

C19H19NO2S — CID 56994920

IUPAC3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide
SMILESCC(CC(N)=O)c1csc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H19NO2S/c1-13(9-19(20)21)17-12-23-18-8-7-15(10-16(17)18)22-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H2,20,21)
InChIKeySJSRAIWEFCYBFF-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.46
Rot. Bonds6

About 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide

3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide (PubChem CID 56994920) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide.

Molecular Properties

Compound Name3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide
PubChem CID56994920
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide
SMILESCC(CC(N)=O)c1csc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C19H19NO2S/c1-13(9-19(20)21)17-12-23-18-8-7-15(10-16(17)18)22-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H2,20,21)
InChIKeySJSRAIWEFCYBFF-UHFFFAOYSA-N
XLogP4.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-phenylmethoxy-1-benzothiophen-3-yl)propanoic acid
CID 19696816
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599572
methyl 2-[3-[2,4-bis(phenylmethoxy)phenyl]butanoylamino]propanoate
CID 129246220
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
3-hydroxy-3-(3-phenylmethoxyphenyl)propanamide
CID 68644594
4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
CID 70159916
methyl 3-[3,5-bis(phenylmethoxy)phenyl]butanoate
CID 171372762
3-(7-methoxynaphthalen-1-yl)butanamide
CID 57236760
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154
3-(4-phenylmethoxyphenyl)butanethioamide
CID 83932935

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide?
The IUPAC name of 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide (CID 56994920) is 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide.
What is the SMILES notation for 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide?
The canonical SMILES for 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide is CC(CC(N)=O)c1csc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide?
The InChIKey is SJSRAIWEFCYBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-13(9-19(20)21)17-12-23-18-8-7-15(10-16(17)18)22-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H2,20,21).
What are the key properties of 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide?
3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide has a molecular weight of 325.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide is sourced from PubChem (CID 56994920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).