N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide

C20H24FNO2S — CID 90687889

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)Sc1ccc(C)cc1
InChIInChI=1S/C20H24FNO2S/c1-14-4-8-18(9-5-14)25-15(2)6-11-20(23)22-13-16-12-17(21)7-10-19(16)24-3/h4-5,7-10,12,15H,6,11,13H2,1-3H3,(H,22,23)
InChIKeySTGXPOTXDIHVEY-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.72
Rot. Bonds8

About N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide

N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide (PubChem CID 90687889) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
PubChem CID90687889
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)Sc1ccc(C)cc1
InChIInChI=1S/C20H24FNO2S/c1-14-4-8-18(9-5-14)25-15(2)6-11-20(23)22-13-16-12-17(21)7-10-19(16)24-3/h4-5,7-10,12,15H,6,11,13H2,1-3H3,(H,22,23)
InChIKeySTGXPOTXDIHVEY-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide
CID 91069507
N-[(2-methoxy-5-methylphenyl)methyl]-3-sulfanylpropanamide
CID 115167821

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide (CID 90687889) is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide is COc1ccc(F)cc1CNC(=O)CCC(C)Sc1ccc(C)cc1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide?
The InChIKey is STGXPOTXDIHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-14-4-8-18(9-5-14)25-15(2)6-11-20(23)22-13-16-12-17(21)7-10-19(16)24-3/h4-5,7-10,12,15H,6,11,13H2,1-3H3,(H,22,23).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide has a molecular weight of 361.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide is sourced from PubChem (CID 90687889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).