5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid

C12H18N2O7S — CID 104932979

IUPAC5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O7S/c1-12(2,3)21-11(17)13-6-7-14-22(18,19)9-5-4-8(20-9)10(15)16/h4-5,14H,6-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUYIHJZGRMVVHRD-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.78
Rot. Bonds6

About 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 104932979) has the molecular formula C12H18N2O7S and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID104932979
Molecular FormulaC12H18N2O7S
Molecular Weight334.35 g/mol
Exact Mass334.08
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H18N2O7S/c1-12(2,3)21-11(17)13-6-7-14-22(18,19)9-5-4-8(20-9)10(15)16/h4-5,14H,6-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUYIHJZGRMVVHRD-UHFFFAOYSA-N
XLogP0.78
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-(3-methylpentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 106328341
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
3-[(5-methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
CID 39733384
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114115798
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoic acid
CID 107241445
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
CID 107251206

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid (CID 104932979) is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid is CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is UYIHJZGRMVVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O7S/c1-12(2,3)21-11(17)13-6-7-14-22(18,19)9-5-4-8(20-9)10(15)16/h4-5,14H,6-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid?
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104932979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).