2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide

C18H19NO4S — CID 95982076

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([S@](C)=O)cc1
InChIInChI=1S/C18H19NO4S/c1-12(20)13-4-9-17(23-2)14(10-13)11-18(21)19-15-5-7-16(8-6-15)24(3)22/h4-10H,11H2,1-3H3,(H,19,21)/t24-/m0/s1
InChIKeyUXHNGWZXNZQNFF-DEOSSOPVSA-N
MW345.42 g/mol
LogP2.82
Rot. Bonds6

About 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide (PubChem CID 95982076) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide
PubChem CID95982076
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([S@](C)=O)cc1
InChIInChI=1S/C18H19NO4S/c1-12(20)13-4-9-17(23-2)14(10-13)11-18(21)19-15-5-7-16(8-6-15)24(3)22/h4-10H,11H2,1-3H3,(H,19,21)/t24-/m0/s1
InChIKeyUXHNGWZXNZQNFF-DEOSSOPVSA-N
XLogP2.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
CID 17410752
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dichlorophenyl)acetamide
CID 30845420
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
2-(5-acetyl-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)acetamide
CID 30843617
N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 30847759

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide (CID 95982076) is 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc([S@](C)=O)cc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide?
The InChIKey is UXHNGWZXNZQNFF-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-12(20)13-4-9-17(23-2)14(10-13)11-18(21)19-15-5-7-16(8-6-15)24(3)22/h4-10H,11H2,1-3H3,(H,19,21)/t24-/m0/s1.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide is sourced from PubChem (CID 95982076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).