(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide

C28H23N3O3S — CID 6234474

IUPAC(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23N3O3S/c32-26(18-17-22-13-8-12-21-11-4-5-14-23(21)22)29-28(35)31-30-27(33)24-15-6-7-16-25(24)34-19-20-9-2-1-3-10-20/h1-18H,19H2,(H,30,33)(H2,29,31,32,35)/b18-17+
InChIKeyQKBYZBDWSJAGPX-ISLYRVAYSA-N
MW481.58 g/mol
LogP4.77
Rot. Bonds6

About (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide

(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide (PubChem CID 6234474) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
PubChem CID6234474
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC Name(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23N3O3S/c32-26(18-17-22-13-8-12-21-11-4-5-14-23(21)22)29-28(35)31-30-27(33)24-15-6-7-16-25(24)34-19-20-9-2-1-3-10-20/h1-18H,19H2,(H,30,33)(H2,29,31,32,35)/b18-17+
InChIKeyQKBYZBDWSJAGPX-ISLYRVAYSA-N
XLogP4.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.77
H-Bond Donors ≤ 53
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'}

Analyze (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2-bromobenzoyl)amino]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4925072
ethyl (E)-4-oxo-4-[[(2-phenylmethoxybenzoyl)amino]carbamothioylamino]but-2-enoate
CID 6234490
N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
CID 4937960
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
3-naphthalen-1-yl-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 3514149
3-chloro-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4938260
2-(2-methoxyethoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17356241
(E)-3-(2-chlorophenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233848
N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
CID 4933147
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-phenylbenzamide
CID 6122169
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
(E)-4-oxo-4-[2-(2-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234396

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide (CID 6234474) is (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
The InChIKey is QKBYZBDWSJAGPX-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c32-26(18-17-22-13-8-12-21-11-4-5-14-23(21)22)29-28(35)31-30-27(33)24-15-6-7-16-25(24)34-19-20-9-2-1-3-10-20/h1-18H,19H2,(H,30,33)(H2,29,31,32,35)/b18-17+.
What are the key properties of (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide?
(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide has a molecular weight of 481.58 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide is sourced from PubChem (CID 6234474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).