N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide

C16H18N2O5S — CID 46693911

IUPACN-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O5S/c1-2-24(21,22)13-7-5-12(6-8-13)18-15(19)9-10-17-16(20)14-4-3-11-23-14/h3-8,11H,2,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXDNUZHZUQDNKJU-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.83
Rot. Bonds7

About N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 46693911) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID46693911
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O5S/c1-2-24(21,22)13-7-5-12(6-8-13)18-15(19)9-10-17-16(20)14-4-3-11-23-14/h3-8,11H,2,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXDNUZHZUQDNKJU-UHFFFAOYSA-N
XLogP1.83
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[2-[(4-ethylsulfonylphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 55871013
N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 26878579
tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-[3-[[4-(diethylsulfamoyl)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 26423283
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]-4-oxobutyl]furan-2-carboxamide
CID 29443018
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide
CID 46456452

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide (CID 46693911) is N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is XDNUZHZUQDNKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-2-24(21,22)13-7-5-12(6-8-13)18-15(19)9-10-17-16(20)14-4-3-11-23-14/h3-8,11H,2,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 46693911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).