N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide

C19H21FN2O5S — CID 24536642

IUPACN-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
SMILESCOc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21FN2O5S/c1-25-15-8-14(9-16(26-2)19(15)27-3)22-18(24)11-28-10-17(23)21-13-6-4-12(20)5-7-13/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYGNORQNCGLIUTR-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.16
Rot. Bonds9

About N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide (PubChem CID 24536642) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
PubChem CID24536642
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
SMILESCOc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21FN2O5S/c1-25-15-8-14(9-16(26-2)19(15)27-3)22-18(24)11-28-10-17(23)21-13-6-4-12(20)5-7-13/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYGNORQNCGLIUTR-UHFFFAOYSA-N
XLogP3.16
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetic acid
CID 115569395
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26698644
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 7731832
2-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427666
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 55328911
3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113126987
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide (CID 24536642) is N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide is COc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide?
The InChIKey is YGNORQNCGLIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-25-15-8-14(9-16(26-2)19(15)27-3)22-18(24)11-28-10-17(23)21-13-6-4-12(20)5-7-13/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide has a molecular weight of 408.45 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 24536642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).