4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide

C21H25N3O3S — CID 979170

IUPAC4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-2-27-19-9-5-17(6-10-19)20(25)23-21(28)22-18-7-3-16(4-8-18)15-24-11-13-26-14-12-24/h3-10H,2,11-15H2,1H3,(H2,22,23,25,28)
InChIKeyJVJYEMXNAKVHLR-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.04
Rot. Bonds6

About 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide

4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide (PubChem CID 979170) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
PubChem CID979170
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c1-2-27-19-9-5-17(6-10-19)20(25)23-21(28)22-18-7-3-16(4-8-18)15-24-11-13-26-14-12-24/h3-10H,2,11-15H2,1H3,(H2,22,23,25,28)
InChIKeyJVJYEMXNAKVHLR-UHFFFAOYSA-N
XLogP3.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide 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

2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3511248
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6156574
4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
CID 172645991
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
4-ethoxy-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17205854
3-chloro-4-ethoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3316284
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3515885
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 4060456
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-butoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 7312503

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide (CID 979170) is 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide is CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
The InChIKey is JVJYEMXNAKVHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-2-27-19-9-5-17(6-10-19)20(25)23-21(28)22-18-7-3-16(4-8-18)15-24-11-13-26-14-12-24/h3-10H,2,11-15H2,1H3,(H2,22,23,25,28).
What are the key properties of 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide?
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 979170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).