(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide

C24H24F3N3O5S — CID 169307943

IUPAC(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
SMILESCCOc1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O5S/c1-3-34-20-13-17(29-23(31)22(28)16-7-5-4-6-8-16)11-12-21(20)36(32,33)30-18-10-9-15(2)19(14-18)35-24(25,26)27/h4-14,22,30H,3,28H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyMUYCGXCGRAOLIK-QFIPXVFZSA-N
MW523.53 g/mol
LogP4.73
Rot. Bonds9

About (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide

(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide (PubChem CID 169307943) has the molecular formula C24H24F3N3O5S and a molecular weight of 523.53 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
PubChem CID169307943
Molecular FormulaC24H24F3N3O5S
Molecular Weight523.53 g/mol
Exact Mass523.14
IUPAC Name(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
SMILESCCOc1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O5S/c1-3-34-20-13-17(29-23(31)22(28)16-7-5-4-6-8-16)11-12-21(20)36(32,33)30-18-10-9-15(2)19(14-18)35-24(25,26)27/h4-14,22,30H,3,28H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyMUYCGXCGRAOLIK-QFIPXVFZSA-N
XLogP4.73
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.53
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
CID 169307654
2-(4-bromophenyl)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308187
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(4-fluorophenyl)-3-hydroxypropanamide
CID 169308123
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(2-hydroxyethyl)-4-methylpentanamide
CID 169307929
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylpentanamide
CID 169307678
2-cyclopropyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308031
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669
(1R,6S)-6-[[3-ethoxy-4-[[3-(1-fluoro-1-phosphanylethoxy)-4-methylphenyl]sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 170343449
(2S)-2-cyclopentyl-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169307931
2-cyclohexyl-3-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]anilino]-3-oxopropanoic acid
CID 169308158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide (CID 169307943) is (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide is CCOc1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
The InChIKey is MUYCGXCGRAOLIK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24F3N3O5S/c1-3-34-20-13-17(29-23(31)22(28)16-7-5-4-6-8-16)11-12-21(20)36(32,33)30-18-10-9-15(2)19(14-18)35-24(25,26)27/h4-14,22,30H,3,28H2,1-2H3,(H,29,31)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide has a molecular weight of 523.53 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 169307943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).