5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid

C18H22N2O6S — CID 120822028

IUPAC5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C(=O)O)c(CC)o2)cc1
InChIInChI=1S/C18H22N2O6S/c1-3-5-10-27(24,25)20-13-8-6-12(7-9-13)19-17(21)16-11-14(18(22)23)15(4-2)26-16/h6-9,11,20H,3-5,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeySQVIYFKVBNPRRP-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.33
Rot. Bonds9

About 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822028) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822028
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C(=O)O)c(CC)o2)cc1
InChIInChI=1S/C18H22N2O6S/c1-3-5-10-27(24,25)20-13-8-6-12(7-9-13)19-17(21)16-11-14(18(22)23)15(4-2)26-16/h6-9,11,20H,3-5,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeySQVIYFKVBNPRRP-UHFFFAOYSA-N
XLogP3.33
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822531
2-ethyl-5-[[4-(2-hydroxy-2-methylpropoxy)phenyl]carbamoyl]furan-3-carboxylic acid
CID 120821942
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
5-[[3-(tert-butylsulfonylmethyl)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821824
5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide
CID 120635515
5-[(2,4-dimethylphenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820558
N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 71874430
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
2-ethyl-5-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]carbamoyl]furan-3-carboxylic acid
CID 120822574
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
2-ethyl-5-[(4-methyl-2-propoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 120821113

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822028) is 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid is CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C(=O)O)c(CC)o2)cc1.
What is the InChIKey of 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is SQVIYFKVBNPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-3-5-10-27(24,25)20-13-8-6-12(7-9-13)19-17(21)16-11-14(18(22)23)15(4-2)26-16/h6-9,11,20H,3-5,10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 394.45 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(butylsulfonylamino)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).