(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide

C19H19F3N2O4S — CID 40791461

IUPAC(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O4S/c1-12-7-8-14(23-18(25)16-6-3-9-28-16)11-17(12)29(26,27)24-15-5-2-4-13(10-15)19(20,21)22/h2,4-5,7-8,10-11,16,24H,3,6,9H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyDAKGONIKNXCLMP-INIZCTEOSA-N
MW428.43 g/mol
LogP3.93
Rot. Bonds5

About (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide

(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 40791461) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
PubChem CID40791461
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O4S/c1-12-7-8-14(23-18(25)16-6-3-9-28-16)11-17(12)29(26,27)24-15-5-2-4-13(10-15)19(20,21)22/h2,4-5,7-8,10-11,16,24H,3,6,9H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyDAKGONIKNXCLMP-INIZCTEOSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide 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

1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90102064
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403
N-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 60531642
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
CID 169307937

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide (CID 40791461) is (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is DAKGONIKNXCLMP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-12-7-8-14(23-18(25)16-6-3-9-28-16)11-17(12)29(26,27)24-15-5-2-4-13(10-15)19(20,21)22/h2,4-5,7-8,10-11,16,24H,3,6,9H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 40791461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).