methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate

C19H24N2O6S — CID 55992465

IUPACmethyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C19H24N2O6S/c1-19(2,3)20-28(24,25)17-11-10-15(27-17)18(23)21(13-16(22)26-4)12-14-8-6-5-7-9-14/h5-11,20H,12-13H2,1-4H3
InChIKeySPDURQMVJAADHB-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.17
Rot. Bonds7

About methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate

methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate (PubChem CID 55992465) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate
PubChem CID55992465
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Namemethyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1
InChIInChI=1S/C19H24N2O6S/c1-19(2,3)20-28(24,25)17-11-10-15(27-17)18(23)21(13-16(22)26-4)12-14-8-6-5-7-9-14/h5-11,20H,12-13H2,1-4H3
InChIKeySPDURQMVJAADHB-UHFFFAOYSA-N
XLogP2.17
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
CID 56512421
5-(tert-butylsulfamoyl)-N-methyl-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 47085584
5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 55919608
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
5-(tert-butylsulfamoyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 55975340
methyl 2-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
CID 79812574
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
ethyl 5-[4-[benzyl-(2-methoxy-2-oxoethyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55992721
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate (CID 55992465) is methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1.
What is the InChIKey of methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate?
The InChIKey is SPDURQMVJAADHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-19(2,3)20-28(24,25)17-11-10-15(27-17)18(23)21(13-16(22)26-4)12-14-8-6-5-7-9-14/h5-11,20H,12-13H2,1-4H3.
What are the key properties of methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate?
methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate has a molecular weight of 408.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[5-(tert-butylsulfamoyl)furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 55992465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).