N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide

C15H19F3N2O4S — CID 113147062

IUPACN-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O4S/c1-25(22,23)20(12-5-4-11(16)14(17)15(12)18)7-6-13(21)19-9-10-3-2-8-24-10/h4-5,10H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyOQNCQIOWKIBHSK-UHFFFAOYSA-N
MW380.39 g/mol
LogP1.56
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide

N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113147062) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
PubChem CID113147062
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC NameN-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N2O4S/c1-25(22,23)20(12-5-4-11(16)14(17)15(12)18)7-6-13(21)19-9-10-3-2-8-24-10/h4-5,10H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyOQNCQIOWKIBHSK-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)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

3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113147211
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113144466
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113146467
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide (CID 113147062) is N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide is CS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is OQNCQIOWKIBHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-25(22,23)20(12-5-4-11(16)14(17)15(12)18)7-6-13(21)19-9-10-3-2-8-24-10/h4-5,10H,2-3,6-9H2,1H3,(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide?
N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 380.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113147062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).