2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

C25H26N2O3S — CID 17086217

IUPAC2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3S/c1-18(2)16-30-23-14-7-6-13-22(23)24(28)27-25(31)26-20-11-8-12-21(15-20)29-17-19-9-4-3-5-10-19/h3-15,18H,16-17H2,1-2H3,(H2,26,27,28,31)
InChIKeyURRNIHNKTRPOMB-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.43
Rot. Bonds8

About 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide

2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide (PubChem CID 17086217) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
PubChem CID17086217
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
SMILESCC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O3S/c1-18(2)16-30-23-14-7-6-13-22(23)24(28)27-25(31)26-20-11-8-12-21(15-20)29-17-19-9-4-3-5-10-19/h3-15,18H,16-17H2,1-2H3,(H2,26,27,28,31)
InChIKeyURRNIHNKTRPOMB-UHFFFAOYSA-N
XLogP5.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.43
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-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628556
5-bromo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17086253
2-(2-methylpropoxy)-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067134
2,2-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17086198
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 26161907
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045921
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-nitrobenzamide
CID 17079846
N-[[4-(benzylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 28640122

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide (CID 17086217) is 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide is CC(C)COc1ccccc1C(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is URRNIHNKTRPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-18(2)16-30-23-14-7-6-13-22(23)24(28)27-25(31)26-20-11-8-12-21(15-20)29-17-19-9-4-3-5-10-19/h3-15,18H,16-17H2,1-2H3,(H2,26,27,28,31).
What are the key properties of 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide?
2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 434.56 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17086217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).