2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C20H25FN2O5S — CID 28549089

IUPAC2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C20H25FN2O5S/c1-5-23(29(25,26)19-12-15(21)10-11-18(19)28-4)13-20(24)22-14(2)16-8-6-7-9-17(16)27-3/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeySDXWUJVNVJCRJN-AWEZNQCLSA-N
MW424.49 g/mol
LogP2.73
Rot. Bonds9

About 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28549089) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28549089
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C20H25FN2O5S/c1-5-23(29(25,26)19-12-15(21)10-11-18(19)28-4)13-20(24)22-14(2)16-8-6-7-9-17(16)27-3/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m0/s1
InChIKeySDXWUJVNVJCRJN-AWEZNQCLSA-N
XLogP2.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906609
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30168616
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 28547921
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 28549007
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28549003
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545342
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30403931
2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100798288
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544211
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28548002
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92517160
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28549089) is 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is SDXWUJVNVJCRJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-5-23(29(25,26)19-12-15(21)10-11-18(19)28-4)13-20(24)22-14(2)16-8-6-7-9-17(16)27-3/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 424.49 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28549089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).