4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide

C20H24N2O3S — CID 17141486

IUPAC4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-14(3)25-18-10-6-15(7-11-18)19(23)22-20(26)21-16-8-12-17(13-9-16)24-5-2/h6-14H,4-5H2,1-3H3,(H2,21,22,23,26)
InChIKeyPYXRRUCYGHRUNV-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.39
Rot. Bonds7

About 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide

4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide (PubChem CID 17141486) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
PubChem CID17141486
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-14(3)25-18-10-6-15(7-11-18)19(23)22-20(26)21-16-8-12-17(13-9-16)24-5-2/h6-14H,4-5H2,1-3H3,(H2,21,22,23,26)
InChIKeyPYXRRUCYGHRUNV-UHFFFAOYSA-N
XLogP4.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
4-butan-2-yloxy-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17141560
4-butan-2-yloxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17141641
4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218520
4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
CID 172645991
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-4-butan-2-yloxybenzamide
CID 17141488
4-butan-2-yloxy-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide
CID 17141680
N-[4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251830
4-butan-2-yloxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17141640
3-bromo-N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 17160721
N-[(4-butoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952309

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide (CID 17141486) is 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide is CCOc1ccc(NC(=S)NC(=O)c2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is PYXRRUCYGHRUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-14(3)25-18-10-6-15(7-11-18)19(23)22-20(26)21-16-8-12-17(13-9-16)24-5-2/h6-14H,4-5H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17141486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).