N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

C19H21FN2O3S — CID 3728936

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-24-15-3-5-16(6-4-15)26-13-19(23)21-14-2-7-18(17(20)12-14)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeySXMLEUWVPAEQAC-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.40
Rot. Bonds6

About N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 3728936) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID3728936
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C19H21FN2O3S/c1-24-15-3-5-16(6-4-15)26-13-19(23)21-14-2-7-18(17(20)12-14)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeySXMLEUWVPAEQAC-UHFFFAOYSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 28689034
2-(4-methoxyphenyl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7579194
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 3933606
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate
CID 55968162
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 3728936) is N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is SXMLEUWVPAEQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-24-15-3-5-16(6-4-15)26-13-19(23)21-14-2-7-18(17(20)12-14)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 376.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 3728936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).