N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide

C19H21F3N2O5S2 — CID 153328397

IUPACN-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2ccsc2CC2C(=O)ON(C)C2C)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O5S2/c1-12-15(18(25)29-23(12)2)10-17-16(8-9-30-17)24(31(26,27)19(20,21)22)11-13-4-6-14(28-3)7-5-13/h4-9,12,15H,10-11H2,1-3H3
InChIKeyOWQKBTQCNNZCGE-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.56
Rot. Bonds7

About N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide

N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 153328397) has the molecular formula C19H21F3N2O5S2 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide
PubChem CID153328397
Molecular FormulaC19H21F3N2O5S2
Molecular Weight478.51 g/mol
Exact Mass478.08
IUPAC NameN-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CN(c2ccsc2CC2C(=O)ON(C)C2C)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O5S2/c1-12-15(18(25)29-23(12)2)10-17-16(8-9-30-17)24(31(26,27)19(20,21)22)11-13-4-6-14(28-3)7-5-13/h4-9,12,15H,10-11H2,1-3H3
InChIKeyOWQKBTQCNNZCGE-UHFFFAOYSA-N
XLogP3.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide (CID 153328397) is N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide is COc1ccc(CN(c2ccsc2CC2C(=O)ON(C)C2C)S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is OWQKBTQCNNZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S2/c1-12-15(18(25)29-23(12)2)10-17-16(8-9-30-17)24(31(26,27)19(20,21)22)11-13-4-6-14(28-3)7-5-13/h4-9,12,15H,10-11H2,1-3H3.
What are the key properties of N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide?
N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 478.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethyl-5-oxo-1,2-oxazolidin-4-yl)methyl]thiophen-3-yl]-1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 153328397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).