3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide

C28H24N2O4S — CID 4955200

IUPAC3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C28H24N2O4S/c31-27(21-8-7-13-26(20-21)33-19-18-32-23-9-3-1-4-10-23)30-28(35)29-22-14-16-25(17-15-22)34-24-11-5-2-6-12-24/h1-17,20H,18-19H2,(H2,29,30,31,35)
InChIKeyWDBAUMXUVXJLQW-UHFFFAOYSA-N
MW484.58 g/mol
LogP6.06
Rot. Bonds9

About 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide

3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide (PubChem CID 4955200) has the molecular formula C28H24N2O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
PubChem CID4955200
Molecular FormulaC28H24N2O4S
Molecular Weight484.58 g/mol
Exact Mass484.15
IUPAC Name3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C28H24N2O4S/c31-27(21-8-7-13-26(20-21)33-19-18-32-23-9-3-1-4-10-23)30-28(35)29-22-14-16-25(17-15-22)34-24-11-5-2-6-12-24/h1-17,20H,18-19H2,(H2,29,30,31,35)
InChIKeyWDBAUMXUVXJLQW-UHFFFAOYSA-N
XLogP6.06
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 56.06
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 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)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

N-[(4-hydroxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955179
3-(3-methylbutoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4981911
N-[(4-heptoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955369
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142762
3-butoxy-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17340591
N-[(4-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955249
N-[(4-benzamidophenyl)carbamothioyl]-3-butoxybenzamide
CID 17235751
3-(2-phenoxyethoxy)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142352
N-[(3-cyanophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955211
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17139837
4-pentoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4935590

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide (CID 4955200) is 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide?
The InChIKey is WDBAUMXUVXJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S/c31-27(21-8-7-13-26(20-21)33-19-18-32-23-9-3-1-4-10-23)30-28(35)29-22-14-16-25(17-15-22)34-24-11-5-2-6-12-24/h1-17,20H,18-19H2,(H2,29,30,31,35).
What are the key properties of 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide?
3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4955200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).