N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide

C24H24N2O4S — CID 17098406

IUPACN-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
SMILESCCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H24N2O4S/c1-2-28-20-12-8-9-18(17-20)25-24(31)26-23(27)21-13-6-7-14-22(21)30-16-15-29-19-10-4-3-5-11-19/h3-14,17H,2,15-16H2,1H3,(H2,25,26,27,31)
InChIKeyCOPNNUVGEPKJHT-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.67
Rot. Bonds9

About N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide

N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 17098406) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID17098406
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
SMILESCCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1
InChIInChI=1S/C24H24N2O4S/c1-2-28-20-12-8-9-18(17-20)25-24(31)26-23(27)21-13-6-7-14-22(21)30-16-15-29-19-10-4-3-5-11-19/h3-14,17H,2,15-16H2,1H3,(H2,25,26,27,31)
InChIKeyCOPNNUVGEPKJHT-UHFFFAOYSA-N
XLogP4.67
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.67
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'}

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Related Compounds

2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxybenzamide
CID 17098395
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705
N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17189376
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
CID 17235160
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide (CID 17098406) is N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide is CCOc1cccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is COPNNUVGEPKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-2-28-20-12-8-9-18(17-20)25-24(31)26-23(27)21-13-6-7-14-22(21)30-16-15-29-19-10-4-3-5-11-19/h3-14,17H,2,15-16H2,1H3,(H2,25,26,27,31).
What are the key properties of N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide?
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 17098406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).