N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide

C18H21NO4S — CID 96548241

IUPACN-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide
SMILESCOc1cccc(C[S@](=O)CC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H21NO4S/c1-22-16-8-5-6-14(10-16)12-24(21)13-18(20)19-11-15-7-3-4-9-17(15)23-2/h3-10H,11-13H2,1-2H3,(H,19,20)/t24-/m0/s1
InChIKeyBIQJCHSZRKPQRR-DEOSSOPVSA-N
MW347.44 g/mol
LogP2.27
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide (PubChem CID 96548241) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide
PubChem CID96548241
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide
SMILESCOc1cccc(C[S@](=O)CC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H21NO4S/c1-22-16-8-5-6-14(10-16)12-24(21)13-18(20)19-11-15-7-3-4-9-17(15)23-2/h3-10H,11-13H2,1-2H3,(H,19,20)/t24-/m0/s1
InChIKeyBIQJCHSZRKPQRR-DEOSSOPVSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548273
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
1-[(2-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216424
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-[[(S)-benzylsulfinyl]methyl]-3-methoxybenzene
CID 94792829
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7652672
N-[(3-methoxyphenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144909
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide (CID 96548241) is N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide is COc1cccc(C[S@](=O)CC(=O)NCc2ccccc2OC)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide?
The InChIKey is BIQJCHSZRKPQRR-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-16-8-5-6-14(10-16)12-24(21)13-18(20)19-11-15-7-3-4-9-17(15)23-2/h3-10H,11-13H2,1-2H3,(H,19,20)/t24-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 96548241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).