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

C15H20FNO3S — CID 96548269

IUPACN-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
SMILESCOc1ccc(F)cc1C[S@](=O)CC(=O)NC1CCCC1
InChIInChI=1S/C15H20FNO3S/c1-20-14-7-6-12(16)8-11(14)9-21(19)10-15(18)17-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,17,18)/t21-/m0/s1
InChIKeyGPYDCGQJCPTMEQ-NRFANRHFSA-N
MW313.39 g/mol
LogP2.14
Rot. Bonds6

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

N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide (PubChem CID 96548269) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
PubChem CID96548269
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
SMILESCOc1ccc(F)cc1C[S@](=O)CC(=O)NC1CCCC1
InChIInChI=1S/C15H20FNO3S/c1-20-14-7-6-12(16)8-11(14)9-21(19)10-15(18)17-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,17,18)/t21-/m0/s1
InChIKeyGPYDCGQJCPTMEQ-NRFANRHFSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-benzyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548273
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
CID 95169060
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
N-cyclopentyl-2-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 110767613
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclohexyl-2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 20860574
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide (CID 96548269) is N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide is COc1ccc(F)cc1C[S@](=O)CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
The InChIKey is GPYDCGQJCPTMEQ-NRFANRHFSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-20-14-7-6-12(16)8-11(14)9-21(19)10-15(18)17-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,17,18)/t21-/m0/s1.
What are the key properties of N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide?
N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide has a molecular weight of 313.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 96548269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).