3-ethoxy-N-(phenylcarbamothioyl)benzamide

C16H16N2O2S — CID 883514

IUPAC3-ethoxy-N-(phenylcarbamothioyl)benzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-2-20-14-10-6-7-12(11-14)15(19)18-16(21)17-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H2,17,18,19,21)
InChIKeyUDXOJCCKAQHURE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.21
Rot. Bonds4

About 3-ethoxy-N-(phenylcarbamothioyl)benzamide

3-ethoxy-N-(phenylcarbamothioyl)benzamide (PubChem CID 883514) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-ethoxy-N-(phenylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(phenylcarbamothioyl)benzamide
PubChem CID883514
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-ethoxy-N-(phenylcarbamothioyl)benzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-2-20-14-10-6-7-12(11-14)15(19)18-16(21)17-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H2,17,18,19,21)
InChIKeyUDXOJCCKAQHURE-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855
2-fluoro-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 934228
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330
O-Tolu-P-phenetidide
CID 710558
4-(cyclopropylcarbamothioylamino)-N-(4-ethoxyphenyl)benzamide
CID 2108618
1-(4-Acetyl-phenyl)-3-(3-furan-2-yl-acryloyl)-thiourea
CID 826520
N-[ethyl(phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833540
2-(4-methoxyphenyl)-N-[(3-methylphenyl)carbamothioyl]acetamide
CID 833603
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500
3-methoxy-N-{4-[(phenylacetyl)amino]phenyl}benzamide
CID 1306000

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(phenylcarbamothioyl)benzamide?
The IUPAC name of 3-ethoxy-N-(phenylcarbamothioyl)benzamide (CID 883514) is 3-ethoxy-N-(phenylcarbamothioyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(phenylcarbamothioyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(phenylcarbamothioyl)benzamide is CCOc1cccc(C(=O)NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 3-ethoxy-N-(phenylcarbamothioyl)benzamide?
The InChIKey is UDXOJCCKAQHURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-20-14-10-6-7-12(11-14)15(19)18-16(21)17-13-8-4-3-5-9-13/h3-11H,2H2,1H3,(H2,17,18,19,21).
What are the key properties of 3-ethoxy-N-(phenylcarbamothioyl)benzamide?
3-ethoxy-N-(phenylcarbamothioyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(phenylcarbamothioyl)benzamide is sourced from PubChem (CID 883514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).