2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide

C19H22N2O3S — CID 17154886

IUPAC2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C19H22N2O3S/c1-4-23-17-11-6-5-10-16(17)18(22)21-19(25)20-14-8-7-9-15(12-14)24-13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,22,25)
InChIKeyQEFIWVAIHNGTNF-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.00
Rot. Bonds6

About 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide

2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide (PubChem CID 17154886) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
PubChem CID17154886
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C19H22N2O3S/c1-4-23-17-11-6-5-10-16(17)18(22)21-19(25)20-14-8-7-9-15(12-14)24-13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,22,25)
InChIKeyQEFIWVAIHNGTNF-UHFFFAOYSA-N
XLogP4.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.00
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

5-bromo-2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154923
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
CID 17235160
2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197719
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-[(3-ethoxyphenyl)carbamothioyl]-2-hexoxybenzamide
CID 17098395
2-butoxy-N-[(4-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17340036
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045738
5-bromo-2-butoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154919
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide (CID 17154886) is 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide is CCOc1ccccc1C(=O)NC(=S)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide?
The InChIKey is QEFIWVAIHNGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-23-17-11-6-5-10-16(17)18(22)21-19(25)20-14-8-7-9-15(12-14)24-13(2)3/h5-13H,4H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide?
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17154886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).