N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide

C25H25N3O3S — CID 28640124

IUPACN-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-2-16-31-22-11-7-6-10-21(22)24(30)28-25(32)27-20-14-12-19(13-15-20)23(29)26-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H2,27,28,30,32)
InChIKeyQYSGLFOILDDCJU-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.53
Rot. Bonds8

About N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide

N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide (PubChem CID 28640124) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
PubChem CID28640124
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-2-16-31-22-11-7-6-10-21(22)24(30)28-25(32)27-20-14-12-19(13-15-20)23(29)26-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H2,27,28,30,32)
InChIKeyQYSGLFOILDDCJU-UHFFFAOYSA-N
XLogP4.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide 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-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 28640122
N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28639081
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948583
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28638591
propyl 4-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17355916
methyl 4-[(2-butoxybenzoyl)carbamothioylamino]benzoate
CID 4941481
N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-5-bromo-2-propoxybenzamide
CID 43887166
N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17229931
N-[(4-acetylphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4946997
N-[(4-hexoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948875
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-[[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17230051

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide?
The IUPAC name of N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide (CID 28640124) is N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide.
What is the SMILES notation for N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide?
The canonical SMILES for N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide?
The InChIKey is QYSGLFOILDDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-2-16-31-22-11-7-6-10-21(22)24(30)28-25(32)27-20-14-12-19(13-15-20)23(29)26-17-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H2,27,28,30,32).
What are the key properties of N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide?
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide has a molecular weight of 447.56 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide is sourced from PubChem (CID 28640124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).