3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C19H19NO2S — CID 118469725

IUPAC3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2cc3ccccc3s2)cc1
InChIInChI=1S/C19H19NO2S/c1-22-16-8-6-14(7-9-16)13-20-19(21)11-10-17-12-15-4-2-3-5-18(15)23-17/h2-9,12H,10-11,13H2,1H3,(H,20,21)
InChIKeyWWLHUUBSLVUTFI-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.16
Rot. Bonds6

About 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide

3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 118469725) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID118469725
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2cc3ccccc3s2)cc1
InChIInChI=1S/C19H19NO2S/c1-22-16-8-6-14(7-9-16)13-20-19(21)11-10-17-12-15-4-2-3-5-18(15)23-17/h2-9,12H,10-11,13H2,1H3,(H,20,21)
InChIKeyWWLHUUBSLVUTFI-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 118469725) is 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCc2cc3ccccc3s2)cc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is WWLHUUBSLVUTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-22-16-8-6-14(7-9-16)13-20-19(21)11-10-17-12-15-4-2-3-5-18(15)23-17/h2-9,12H,10-11,13H2,1H3,(H,20,21).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 325.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 118469725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).