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

C22H20F3N3O4S — CID 169307654

IUPAC(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O4S/c1-14-12-16(27-21(29)20(26)15-6-3-2-4-7-15)10-11-19(14)33(30,31)28-17-8-5-9-18(13-17)32-22(23,24)25/h2-13,20,28H,26H2,1H3,(H,27,29)/t20-/m0/s1
InChIKeyVMQFTXVVWWGJTB-FQEVSTJZSA-N
MW479.48 g/mol
LogP4.33
Rot. Bonds7

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

(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide (PubChem CID 169307654) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
PubChem CID169307654
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC Name(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O4S/c1-14-12-16(27-21(29)20(26)15-6-3-2-4-7-15)10-11-19(14)33(30,31)28-17-8-5-9-18(13-17)32-22(23,24)25/h2-13,20,28H,26H2,1H3,(H,27,29)/t20-/m0/s1
InChIKeyVMQFTXVVWWGJTB-FQEVSTJZSA-N
XLogP4.33
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
CID 169307943
(2R)-3-hydroxy-N-[3-(methoxymethyl)-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylpropanamide
CID 169308061
2-(4-bromophenyl)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-hydroxyacetamide
CID 169308187
(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-(4-fluorophenyl)-3-hydroxypropanamide
CID 169308123
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(2-hydroxyethyl)-4-methylpentanamide
CID 169307929
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
(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
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide (CID 169307654) is (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide is Cc1cc(NC(=O)[C@@H](N)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
The InChIKey is VMQFTXVVWWGJTB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c1-14-12-16(27-21(29)20(26)15-6-3-2-4-7-15)10-11-19(14)33(30,31)28-17-8-5-9-18(13-17)32-22(23,24)25/h2-13,20,28H,26H2,1H3,(H,27,29)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide?
(2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide has a molecular weight of 479.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 169307654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).