4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

C16H18N2O2S2 — CID 4952306

IUPAC4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NC(=S)NCc2cccs2)cc1
InChIInChI=1S/C16H18N2O2S2/c1-11(2)20-13-7-5-12(6-8-13)15(19)18-16(21)17-10-14-4-3-9-22-14/h3-9,11H,10H2,1-2H3,(H2,17,18,19,21)
InChIKeyBJKKCUFWOFUKSB-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.34
Rot. Bonds5

About 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide

4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide (PubChem CID 4952306) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
PubChem CID4952306
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)NC(=S)NCc2cccs2)cc1
InChIInChI=1S/C16H18N2O2S2/c1-11(2)20-13-7-5-12(6-8-13)15(19)18-16(21)17-10-14-4-3-9-22-14/h3-9,11H,10H2,1-2H3,(H2,17,18,19,21)
InChIKeyBJKKCUFWOFUKSB-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
4-nitro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925364
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide
CID 146896544
4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4952255
3-bromo-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 54791822
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911250
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
3,4,5-trimethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911196
2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide (CID 4952306) is 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide is CC(C)Oc1ccc(C(=O)NC(=S)NCc2cccs2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
The InChIKey is BJKKCUFWOFUKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-11(2)20-13-7-5-12(6-8-13)15(19)18-16(21)17-10-14-4-3-9-22-14/h3-9,11H,10H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide?
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide has a molecular weight of 334.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide is sourced from PubChem (CID 4952306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).