(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide

C15H14N4O3S — CID 6134574

IUPAC(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC(=S)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H14N4O3S/c20-13(9-8-12-7-4-10-22-12)17-15(23)19-18-14(21)16-11-5-2-1-3-6-11/h1-10H,(H2,16,18,21)(H2,17,19,20,23)/b9-8+
InChIKeyHAGNNIGFKORDBD-CMDGGOBGSA-N
MW330.37 g/mol
LogP2.02
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide (PubChem CID 6134574) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
PubChem CID6134574
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC(=S)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H14N4O3S/c20-13(9-8-12-7-4-10-22-12)17-15(23)19-18-14(21)16-11-5-2-1-3-6-11/h1-10H,(H2,16,18,21)(H2,17,19,20,23)/b9-8+
InChIKeyHAGNNIGFKORDBD-CMDGGOBGSA-N
XLogP2.02
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 3718285
(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
(E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134777
methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamate
CID 6134787
3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 5181707
N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 1343643
4-tert-butyl-N-[4-[[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]benzamide
CID 4510733
3-(furan-2-yl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 5209518
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 92958877

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide (CID 6134574) is (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide is O=C(/C=C/c1ccco1)NC(=S)NNC(=O)Nc1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide?
The InChIKey is HAGNNIGFKORDBD-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N4O3S/c20-13(9-8-12-7-4-10-22-12)17-15(23)19-18-14(21)16-11-5-2-1-3-6-11/h1-10H,(H2,16,18,21)(H2,17,19,20,23)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide has a molecular weight of 330.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide is sourced from PubChem (CID 6134574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).