N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide

C18H20N4O3S — CID 7977720

IUPACN-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)NNC(=S)NCc1ccccc1
InChIInChI=1S/C18H20N4O3S/c23-16(12-19-17(24)13-25-15-9-5-2-6-10-15)21-22-18(26)20-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,24)(H,21,23)(H2,20,22,26)
InChIKeyBVWMRFAUZWTHEQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.88
Rot. Bonds7

About N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide

N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 7977720) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
PubChem CID7977720
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)NNC(=S)NCc1ccccc1
InChIInChI=1S/C18H20N4O3S/c23-16(12-19-17(24)13-25-15-9-5-2-6-10-15)21-22-18(26)20-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,24)(H,21,23)(H2,20,22,26)
InChIKeyBVWMRFAUZWTHEQ-UHFFFAOYSA-N
XLogP0.88
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide 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

1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 4028444
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 27036527
N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779481
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[(benzylcarbamothioylamino)carbamothioyl]-2-phenylacetamide
CID 14221149
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
1-[[2-(2-methoxyphenoxy)acetyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8654807

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide (CID 7977720) is N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(=O)NNC(=S)NCc1ccccc1.
What is the InChIKey of N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is BVWMRFAUZWTHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-16(12-19-17(24)13-25-15-9-5-2-6-10-15)21-22-18(26)20-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,24)(H,21,23)(H2,20,22,26).
What are the key properties of N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide?
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 372.45 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7977720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).