N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide

C16H20N4O5S — CID 119465293

IUPACN-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H20N4O5S/c17-7-9-19-26(23,24)13-4-1-3-12(11-13)20-15(21)6-8-18-16(22)14-5-2-10-25-14/h1-5,10-11,19H,6-9,17H2,(H,18,22)(H,20,21)
InChIKeyVFMLGWHSZYYXHS-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.28
Rot. Bonds9

About N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide

N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 119465293) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID119465293
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H20N4O5S/c17-7-9-19-26(23,24)13-4-1-3-12(11-13)20-15(21)6-8-18-16(22)14-5-2-10-25-14/h1-5,10-11,19H,6-9,17H2,(H,18,22)(H,20,21)
InChIKeyVFMLGWHSZYYXHS-UHFFFAOYSA-N
XLogP0.28
TPSA143.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119465473
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(4-chlorothiophen-2-yl)propanamide
CID 119465707
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
CID 38748493

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide (CID 119465293) is N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide is NCCNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is VFMLGWHSZYYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c17-7-9-19-26(23,24)13-4-1-3-12(11-13)20-15(21)6-8-18-16(22)14-5-2-10-25-14/h1-5,10-11,19H,6-9,17H2,(H,18,22)(H,20,21).
What are the key properties of N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 0.28, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 119465293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).