(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C14H14F3N3O3S2 — CID 46388557

IUPAC(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1cscn1
InChIInChI=1S/C14H14F3N3O3S2/c1-9(13(21)18-6-11-7-24-8-19-11)20-25(22,23)12-4-2-3-10(5-12)14(15,16)17/h2-5,7-9,20H,6H2,1H3,(H,18,21)/t9-/m0/s1
InChIKeyCXQCHRZDGBTUNO-VIFPVBQESA-N
MW393.41 g/mol
LogP2.15
Rot. Bonds6

About (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 46388557) has the molecular formula C14H14F3N3O3S2 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID46388557
Molecular FormulaC14H14F3N3O3S2
Molecular Weight393.41 g/mol
Exact Mass393.04
IUPAC Name(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1cscn1
InChIInChI=1S/C14H14F3N3O3S2/c1-9(13(21)18-6-11-7-24-8-19-11)20-25(22,23)12-4-2-3-10(5-12)14(15,16)17/h2-5,7-9,20H,6H2,1H3,(H,18,21)/t9-/m0/s1
InChIKeyCXQCHRZDGBTUNO-VIFPVBQESA-N
XLogP2.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]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)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388558
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 112768545
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
N-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 112768427
N-benzyl-2-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]propanamide
CID 56548673
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
(2S,3R)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2341191
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 4786599
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
3-chloro-N-[(2R)-1-oxo-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]benzamide
CID 46388457

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 46388557) is (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1cscn1.
What is the InChIKey of (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is CXQCHRZDGBTUNO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N3O3S2/c1-9(13(21)18-6-11-7-24-8-19-11)20-25(22,23)12-4-2-3-10(5-12)14(15,16)17/h2-5,7-9,20H,6H2,1H3,(H,18,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 393.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-thiazol-4-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 46388557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).