N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide

C19H21FN2O3S — CID 26635741

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c20-15-7-9-17(10-8-15)26-12-4-11-21-18(23)13-22-19(24)14-25-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,21,23)(H,22,24)
InChIKeyGZBVMGODAXGNCY-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.62
Rot. Bonds10

About N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 26635741) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID26635741
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c20-15-7-9-17(10-8-15)26-12-4-11-21-18(23)13-22-19(24)14-25-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,21,23)(H,22,24)
InChIKeyGZBVMGODAXGNCY-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
2-(4-methoxyphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 27828609
2-(4-acetylphenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 26352192
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-[4-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]phenoxy]acetic acid
CID 119255389
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 26635741) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide is O=C(CNC(=O)COc1ccccc1)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is GZBVMGODAXGNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-15-7-9-17(10-8-15)26-12-4-11-21-18(23)13-22-19(24)14-25-16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 376.45 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 26635741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).