N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide

C22H28N2O4S — CID 17123102

IUPACN-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
SMILESCCCCOc1ccccc1NC(=S)NC(=O)c1ccccc1OCCOCC
InChIInChI=1S/C22H28N2O4S/c1-3-5-14-27-20-13-9-7-11-18(20)23-22(29)24-21(25)17-10-6-8-12-19(17)28-16-15-26-4-2/h6-13H,3-5,14-16H2,1-2H3,(H2,23,24,25,29)
InChIKeyANCNGAOAVVEFPD-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.41
Rot. Bonds11

About N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide

N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide (PubChem CID 17123102) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
PubChem CID17123102
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
SMILESCCCCOc1ccccc1NC(=S)NC(=O)c1ccccc1OCCOCC
InChIInChI=1S/C22H28N2O4S/c1-3-5-14-27-20-13-9-7-11-18(20)23-22(29)24-21(25)17-10-6-8-12-19(17)28-16-15-26-4-2/h6-13H,3-5,14-16H2,1-2H3,(H2,23,24,25,29)
InChIKeyANCNGAOAVVEFPD-UHFFFAOYSA-N
XLogP4.41
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)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-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
2-butoxy-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17113365
N-[(2-bromophenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123016
2-(2-ethoxyethoxy)-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17123104
N-[(2-bromophenyl)carbamothioyl]-2-butoxybenzamide
CID 4941528
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17122972
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
N-benzyl-2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17123042
2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186891
2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 17123040
N-[(2-bromophenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942609

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide (CID 17123102) is N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide is CCCCOc1ccccc1NC(=S)NC(=O)c1ccccc1OCCOCC.
What is the InChIKey of N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
The InChIKey is ANCNGAOAVVEFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-5-14-27-20-13-9-7-11-18(20)23-22(29)24-21(25)17-10-6-8-12-19(17)28-16-15-26-4-2/h6-13H,3-5,14-16H2,1-2H3,(H2,23,24,25,29).
What are the key properties of N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide?
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide has a molecular weight of 416.54 g/mol, XLogP of 4.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17123102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).