(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide

C17H16F3N3O4S — CID 57193196

IUPAC(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O4S/c18-17(19,20)16(25)23-28(26,27)13-8-4-7-12(10-13)22-15(24)14(21)9-11-5-2-1-3-6-11/h1-8,10,14H,9,21H2,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyQVXVCUOXFTXASX-AWEZNQCLSA-N
MW415.39 g/mol
LogP1.56
Rot. Bonds6

About (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide

(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide (PubChem CID 57193196) has the molecular formula C17H16F3N3O4S and a molecular weight of 415.39 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide
PubChem CID57193196
Molecular FormulaC17H16F3N3O4S
Molecular Weight415.39 g/mol
Exact Mass415.08
IUPAC Name(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O4S/c18-17(19,20)16(25)23-28(26,27)13-8-4-7-12(10-13)22-15(24)14(21)9-11-5-2-1-3-6-11/h1-8,10,14H,9,21H2,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyQVXVCUOXFTXASX-AWEZNQCLSA-N
XLogP1.56
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119270879
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
(2S)-2-amino-N-[3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenyl]-3-phenylpropanamide
CID 167299072
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119332400
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide (CID 57193196) is (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NC(=O)C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide?
The InChIKey is QVXVCUOXFTXASX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16F3N3O4S/c18-17(19,20)16(25)23-28(26,27)13-8-4-7-12(10-13)22-15(24)14(21)9-11-5-2-1-3-6-11/h1-8,10,14H,9,21H2,(H,22,24)(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide?
(2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide has a molecular weight of 415.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[3-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 57193196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).