N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide

C19H19NO3S — CID 67184430

IUPACN-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(-c2cccc3cc(CO)sc23)c1
InChIInChI=1S/C19H19NO3S/c1-23-9-8-18(22)20-15-6-2-4-13(10-15)17-7-3-5-14-11-16(12-21)24-19(14)17/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,22)
InChIKeyAWCIFJWDDBKGJD-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.04
Rot. Bonds6

About N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide

N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide (PubChem CID 67184430) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide
PubChem CID67184430
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(-c2cccc3cc(CO)sc23)c1
InChIInChI=1S/C19H19NO3S/c1-23-9-8-18(22)20-15-6-2-4-13(10-15)17-7-3-5-14-11-16(12-21)24-19(14)17/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,22)
InChIKeyAWCIFJWDDBKGJD-UHFFFAOYSA-N
XLogP4.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 67185330
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide
CID 91012537
N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide
CID 53154037
N-[3-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
7-[3-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 142838844
3-[2-[(3-chloro-4-fluorophenyl)methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59193820
[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
CID 141144438
N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methoxybutanamide
CID 39853089
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide?
The IUPAC name of N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide (CID 67184430) is N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide?
The canonical SMILES for N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide is COCCC(=O)Nc1cccc(-c2cccc3cc(CO)sc23)c1.
What is the InChIKey of N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide?
The InChIKey is AWCIFJWDDBKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-23-9-8-18(22)20-15-6-2-4-13(10-15)17-7-3-5-14-11-16(12-21)24-19(14)17/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,22).
What are the key properties of N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide?
N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide has a molecular weight of 341.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(hydroxymethyl)-1-benzothiophen-7-yl]phenyl]-3-methoxypropanamide is sourced from PubChem (CID 67184430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).