N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide

C16H19NO3S — CID 90496752

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(O)c2sccc2C)c1
InChIInChI=1S/C16H19NO3S/c1-11-6-7-21-16(11)14(18)10-17-15(19)9-12-4-3-5-13(8-12)20-2/h3-8,14,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyVAXGFVXBVHGNAS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.46
Rot. Bonds6

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 90496752) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
PubChem CID90496752
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(O)c2sccc2C)c1
InChIInChI=1S/C16H19NO3S/c1-11-6-7-21-16(11)14(18)10-17-15(19)9-12-4-3-5-13(8-12)20-2/h3-8,14,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyVAXGFVXBVHGNAS-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496945
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
CID 62666127
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95367034

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide (CID 90496752) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC(O)c2sccc2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is VAXGFVXBVHGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-6-7-21-16(11)14(18)10-17-15(19)9-12-4-3-5-13(8-12)20-2/h3-8,14,18H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 90496752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).