N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

C20H25FN2O5S — CID 28547921

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O5S/c1-5-23(29(25,26)17-9-7-16(21)8-10-17)13-20(24)22-14(2)15-6-11-18(27-3)19(12-15)28-4/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyXUZLKBNQYBLRNG-CQSZACIVSA-N
MW424.49 g/mol
LogP2.73
Rot. Bonds9

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 28547921) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID28547921
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O5S/c1-5-23(29(25,26)17-9-7-16(21)8-10-17)13-20(24)22-14(2)15-6-11-18(27-3)19(12-15)28-4/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m1/s1
InChIKeyXUZLKBNQYBLRNG-CQSZACIVSA-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

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044508
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30403931
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 43872621
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43886583
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 93487781
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 28549007
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92645567
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94012475

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 28547921) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is CCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is XUZLKBNQYBLRNG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-5-23(29(25,26)17-9-7-16(21)8-10-17)13-20(24)22-14(2)15-6-11-18(27-3)19(12-15)28-4/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]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 N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 28547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).