N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C20H24FNO3S — CID 55686840

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NCCCSc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO3S/c1-15(25-14-16-5-3-6-18(13-16)24-2)20(23)22-11-4-12-26-19-9-7-17(21)8-10-19/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,22,23)
InChIKeyAAXQBAKTNXQXEJ-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.04
Rot. Bonds10

About N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 55686840) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID55686840
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NCCCSc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO3S/c1-15(25-14-16-5-3-6-18(13-16)24-2)20(23)22-11-4-12-26-19-9-7-17(21)8-10-19/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,22,23)
InChIKeyAAXQBAKTNXQXEJ-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
CID 55684573
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
1-[2-(4-fluorophenyl)sulfanylethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111567421
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650921
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 55686840) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)NCCCSc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is AAXQBAKTNXQXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-15(25-14-16-5-3-6-18(13-16)24-2)20(23)22-11-4-12-26-19-9-7-17(21)8-10-19/h3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 377.48 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 55686840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).