2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide

C20H24N2O3S — CID 43911235

IUPAC2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-24-18-8-6-5-7-17(18)19(23)22-20(26)21-13-15-9-11-16(12-10-15)25-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,23,26)
InChIKeyYJGOHZWFEBLRAC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.68
Rot. Bonds7

About 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide

2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide (PubChem CID 43911235) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
PubChem CID43911235
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-24-18-8-6-5-7-17(18)19(23)22-20(26)21-13-15-9-11-16(12-10-15)25-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,23,26)
InChIKeyYJGOHZWFEBLRAC-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
5-bromo-2-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911267
2-butoxy-N-[(4-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17340036
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920
3,4,5-trimethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911196
N-(benzylcarbamothioyl)-2-(2-phenoxyethoxy)benzamide
CID 4954593
2,2-dimethyl-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]propanamide
CID 43911226
ethyl 2-[(2-ethoxybenzoyl)carbamothioylamino]acetate
CID 18822963
4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911250
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
1-ethyl-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 43911227

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide (CID 43911235) is 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide is CCOc1ccccc1C(=O)NC(=S)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide?
The InChIKey is YJGOHZWFEBLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-24-18-8-6-5-7-17(18)19(23)22-20(26)21-13-15-9-11-16(12-10-15)25-14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide?
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide is sourced from PubChem (CID 43911235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).