[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate

C14H18N4O5S — CID 55998995

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)CCNc2ncccn2)o1
InChIInChI=1S/C14H18N4O5S/c1-18(2)24(20,21)13-5-4-11(23-13)10-22-12(19)6-9-17-14-15-7-3-8-16-14/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyHFCLVKXPUZVCEV-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.87
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate (PubChem CID 55998995) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
PubChem CID55998995
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)CCNc2ncccn2)o1
InChIInChI=1S/C14H18N4O5S/c1-18(2)24(20,21)13-5-4-11(23-13)10-22-12(19)6-9-17-14-15-7-3-8-16-14/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyHFCLVKXPUZVCEV-UHFFFAOYSA-N
XLogP0.87
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55730775
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55730465
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 55730614
N,N-dimethyl-5-[[(2-methyl-3-pyridinyl)amino]methyl]furan-2-sulfonamide
CID 79042214
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55730559
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55730700
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 55730905
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(trifluoromethyl)benzoate
CID 55730864

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate (CID 55998995) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate is CN(C)S(=O)(=O)c1ccc(COC(=O)CCNc2ncccn2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate?
The InChIKey is HFCLVKXPUZVCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-18(2)24(20,21)13-5-4-11(23-13)10-22-12(19)6-9-17-14-15-7-3-8-16-14/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate has a molecular weight of 354.39 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(pyrimidin-2-ylamino)propanoate is sourced from PubChem (CID 55998995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).