N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide

C17H18N2O2S — CID 823875

IUPACN-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O2S/c1-12(2)21-15-10-6-7-13(11-15)16(20)19-17(22)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,18,19,20,22)
InChIKeyRZYAHAYOKYSFPP-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.60
Rot. Bonds4

About N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide

N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide (PubChem CID 823875) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
PubChem CID823875
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O2S/c1-12(2)21-15-10-6-7-13(11-15)16(20)19-17(22)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,18,19,20,22)
InChIKeyRZYAHAYOKYSFPP-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.60
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

N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142636
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142762
4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
CID 7316263
N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17235910
methyl 3-[(3-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175732
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
3-(3-methylbutoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154914
2-chloro-4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoic acid
CID 3737122
3-propan-2-yloxy-N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17142700
N-(3-methoxypropyl)-3-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 26160870
N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142797
3-(2-ethoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154941

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide (CID 823875) is N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2)c1.
What is the InChIKey of N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide?
The InChIKey is RZYAHAYOKYSFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(2)21-15-10-6-7-13(11-15)16(20)19-17(22)18-14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,18,19,20,22).
What are the key properties of N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide?
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide has a molecular weight of 314.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 823875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).