methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate

C19H20ClF3N2O6S — CID 55461549

IUPACmethyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)oc1C
InChIInChI=1S/C19H20ClF3N2O6S/c1-11-14(18(27)30-3)8-12(31-11)10-25(2)17(26)6-7-24-32(28,29)13-4-5-16(20)15(9-13)19(21,22)23/h4-5,8-9,24H,6-7,10H2,1-3H3
InChIKeyAGOAFSYZBOSWAH-UHFFFAOYSA-N
MW496.89 g/mol
LogP3.37
Rot. Bonds8

About methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 55461549) has the molecular formula C19H20ClF3N2O6S and a molecular weight of 496.89 g/mol. Its IUPAC name is methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID55461549
Molecular FormulaC19H20ClF3N2O6S
Molecular Weight496.89 g/mol
Exact Mass496.07
IUPAC Namemethyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)oc1C
InChIInChI=1S/C19H20ClF3N2O6S/c1-11-14(18(27)30-3)8-12(31-11)10-25(2)17(26)6-7-24-32(28,29)13-4-5-16(20)15(9-13)19(21,22)23/h4-5,8-9,24H,6-7,10H2,1-3H3
InChIKeyAGOAFSYZBOSWAH-UHFFFAOYSA-N
XLogP3.37
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
CID 55866324
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
CID 99639450
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(N-methylanilino)ethyl]propanamide
CID 55447360
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
methyl 5-[[3-(2-fluorophenyl)sulfanylpropanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134016310

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 55461549) is methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)oc1C.
What is the InChIKey of methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is AGOAFSYZBOSWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O6S/c1-11-14(18(27)30-3)8-12(31-11)10-25(2)17(26)6-7-24-32(28,29)13-4-5-16(20)15(9-13)19(21,22)23/h4-5,8-9,24H,6-7,10H2,1-3H3.
What are the key properties of methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 496.89 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 55461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).