N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide

C19H23NO3S — CID 111719972

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide
SMILESCOc1ccccc1CC(C)=CC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C19H23NO3S/c1-14(11-15-7-4-5-8-16(15)23-3)12-18(21)20-13-19(2,22)17-9-6-10-24-17/h4-10,12,22H,11,13H2,1-3H3,(H,20,21)
InChIKeyAWGJUWPBXYPFBT-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.27
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide (PubChem CID 111719972) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide
PubChem CID111719972
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide
SMILESCOc1ccccc1CC(C)=CC(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C19H23NO3S/c1-14(11-15-7-4-5-8-16(15)23-3)12-18(21)20-13-19(2,22)17-9-6-10-24-17/h4-10,12,22H,11,13H2,1-3H3,(H,20,21)
InChIKeyAWGJUWPBXYPFBT-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 96567011
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90499860
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
(2S)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-2-thiophen-2-ylpropan-2-ol
CID 97232572
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 71985104
(E)-4-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)but-2-enamide
CID 146101049
2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
CID 96567021
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide (CID 111719972) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide is COc1ccccc1CC(C)=CC(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide?
The InChIKey is AWGJUWPBXYPFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(11-15-7-4-5-8-16(15)23-3)12-18(21)20-13-19(2,22)17-9-6-10-24-17/h4-10,12,22H,11,13H2,1-3H3,(H,20,21).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide has a molecular weight of 345.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-(2-methoxyphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 111719972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).