N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

C23H25NO3S — CID 121134172

IUPACN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2ccc(C(O)c3ccccc3)s2)cc1
InChIInChI=1S/C23H25NO3S/c1-16(2)17-8-10-19(11-9-17)27-15-22(25)24-14-20-12-13-21(28-20)23(26)18-6-4-3-5-7-18/h3-13,16,23,26H,14-15H2,1-2H3,(H,24,25)
InChIKeyCZXKGDUSTOQKMI-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.65
Rot. Bonds8

About N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 121134172) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID121134172
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2ccc(C(O)c3ccccc3)s2)cc1
InChIInChI=1S/C23H25NO3S/c1-16(2)17-8-10-19(11-9-17)27-15-22(25)24-14-20-12-13-21(28-20)23(26)18-6-4-3-5-7-18/h3-13,16,23,26H,14-15H2,1-2H3,(H,24,25)
InChIKeyCZXKGDUSTOQKMI-UHFFFAOYSA-N
XLogP4.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
CID 90583461
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 90583483
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 71782438
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
N-(furan-3-ylmethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 47034243
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 121134172) is N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCc2ccc(C(O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CZXKGDUSTOQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-16(2)17-8-10-19(11-9-17)27-15-22(25)24-14-20-12-13-21(28-20)23(26)18-6-4-3-5-7-18/h3-13,16,23,26H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 395.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 121134172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).