N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide

C17H18FNO3S — CID 96548273

IUPACN-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
SMILESCOc1ccc(F)cc1C[S@](=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C17H18FNO3S/c1-22-16-8-7-15(18)9-14(16)11-23(21)12-17(20)19-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,20)/t23-/m0/s1
InChIKeyFXWIWPNUHXAJPQ-QHCPKHFHSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds7

About N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide

N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide (PubChem CID 96548273) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
PubChem CID96548273
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
SMILESCOc1ccc(F)cc1C[S@](=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C17H18FNO3S/c1-22-16-8-7-15(18)9-14(16)11-23(21)12-17(20)19-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,20)/t23-/m0/s1
InChIKeyFXWIWPNUHXAJPQ-QHCPKHFHSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
CID 123100558
N-[(2-methoxyphenyl)methyl]-2-[(S)-(3-methoxyphenyl)methylsulfinyl]acetamide
CID 96548241
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548269
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
1-[3-(benzylsulfinylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 64660300
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
The IUPAC name of N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide (CID 96548273) is N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide is COc1ccc(F)cc1C[S@](=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
The InChIKey is FXWIWPNUHXAJPQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-22-16-8-7-15(18)9-14(16)11-23(21)12-17(20)19-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,20)/t23-/m0/s1.
What are the key properties of N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 96548273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).