N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide

C17H21NO3S — CID 71782015

IUPACN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H21NO3S/c1-17(20,11-13-5-7-14(21-2)8-6-13)12-18-16(19)10-15-4-3-9-22-15/h3-9,20H,10-12H2,1-2H3,(H,18,19)
InChIKeyYDHZXOISUZWVRK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.41
Rot. Bonds7

About N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide (PubChem CID 71782015) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
PubChem CID71782015
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C17H21NO3S/c1-17(20,11-13-5-7-14(21-2)8-6-13)12-18-16(19)10-15-4-3-9-22-15/h3-9,20H,10-12H2,1-2H3,(H,18,19)
InChIKeyYDHZXOISUZWVRK-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 1246879
N-[(4-methoxyphenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2477202
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
N-[2-(4-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 885121
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
CID 10085672
(1S,2S)-N-((R)-2-Hydroxy-1-(4-((S)-2-methylbutoxy)phenyl)ethyl)-2-(thiophen-2-yl)cyclopropanecarboxamide
CID 51348369
2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2124830
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2338095
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 4827045

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide (CID 71782015) is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide is COc1ccc(CC(C)(O)CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
The InChIKey is YDHZXOISUZWVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(20,11-13-5-7-14(21-2)8-6-13)12-18-16(19)10-15-4-3-9-22-15/h3-9,20H,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide?
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71782015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).