3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide

C20H17N3O4S2 — CID 5181707

IUPAC3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H17N3O4S2/c24-19(13-10-17-7-4-14-27-17)22-20(28)21-15-8-11-18(12-9-15)29(25,26)23-16-5-2-1-3-6-16/h1-14,23H,(H2,21,22,24,28)
InChIKeyQXDVJPQCDFYZCH-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.61
Rot. Bonds6

About 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide

3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide (PubChem CID 5181707) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
PubChem CID5181707
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC Name3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H17N3O4S2/c24-19(13-10-17-7-4-14-27-17)22-20(28)21-15-8-11-18(12-9-15)29(25,26)23-16-5-2-1-3-6-16/h1-14,23H,(H2,21,22,24,28)
InChIKeyQXDVJPQCDFYZCH-UHFFFAOYSA-N
XLogP3.61
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 3518953
3-(furan-2-yl)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 3097481
(Z)-3-(furan-2-yl)-N-[[4-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]phenyl]carbamothioyl]prop-2-enamide
CID 25250780
3-(furan-2-yl)-N-[[4-[4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]phenyl]phenyl]carbamothioyl]prop-2-enamide
CID 3789012
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 3718285
(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
CID 6134574
(E)-3-(4-nitrophenyl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 17187106
N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 1343643
(E)-3-(furan-2-yl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 2572495
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[(3,4-dimethylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 884086
N-[(4-butylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2904238

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide (CID 5181707) is 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide is O=C(C=Cc1ccco1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
The InChIKey is QXDVJPQCDFYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c24-19(13-10-17-7-4-14-27-17)22-20(28)21-15-8-11-18(12-9-15)29(25,26)23-16-5-2-1-3-6-16/h1-14,23H,(H2,21,22,24,28).
What are the key properties of 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide has a molecular weight of 427.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide is sourced from PubChem (CID 5181707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).