N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C22H23F3N2O5S — CID 55782047

IUPACN-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O5S/c1-14-4-7-16(8-5-14)33(30,31)12-10-20(28)27-18-9-6-15(13-17(18)22(23,24)25)26-21(29)19-3-2-11-32-19/h4-9,13,19H,2-3,10-12H2,1H3,(H,26,29)(H,27,28)
InChIKeyOKHAYNHIEPHHRB-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.93
Rot. Bonds7

About N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55782047) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID55782047
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC NameN-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O5S/c1-14-4-7-16(8-5-14)33(30,31)12-10-20(28)27-18-9-6-15(13-17(18)22(23,24)25)26-21(29)19-3-2-11-32-19/h4-9,13,19H,2-3,10-12H2,1H3,(H,26,29)(H,27,28)
InChIKeyOKHAYNHIEPHHRB-UHFFFAOYSA-N
XLogP3.93
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)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

N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782372
N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 166247509
N-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086
N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781955
N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782396
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 99782579
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87001389
ethyl 2-methyl-6-[[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55782300
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55782047) is N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is OKHAYNHIEPHHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c1-14-4-7-16(8-5-14)33(30,31)12-10-20(28)27-18-9-6-15(13-17(18)22(23,24)25)26-21(29)19-3-2-11-32-19/h4-9,13,19H,2-3,10-12H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55782047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).