N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide

C18H20N2O2S — CID 2289109

IUPACN-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-11-22-16-9-7-14(8-10-16)17(21)20-18(23)19-15-6-4-5-13(2)12-15/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyXMAKTMBNZKFLQF-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.91
Rot. Bonds5

About N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide

N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide (PubChem CID 2289109) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide
PubChem CID2289109
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-11-22-16-9-7-14(8-10-16)17(21)20-18(23)19-15-6-4-5-13(2)12-15/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyXMAKTMBNZKFLQF-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.91
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

4-(2-phenoxyethoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097060
3-[(4-ethoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide
CID 26164999
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17097411
N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxybenzamide
CID 17095199
3-[(4-butoxybenzoyl)carbamothioylamino]benzoate
CID 2296288
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4934158
N-[(3-hexoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 17094900
4-heptoxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170023
N-[(3-bromophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17252493
4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188635
3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 883436

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide?
The IUPAC name of N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide (CID 2289109) is N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide?
The canonical SMILES for N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1.
What is the InChIKey of N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide?
The InChIKey is XMAKTMBNZKFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-11-22-16-9-7-14(8-10-16)17(21)20-18(23)19-15-6-4-5-13(2)12-15/h4-10,12H,3,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide?
N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide has a molecular weight of 328.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)carbamothioyl]-4-propoxybenzamide is sourced from PubChem (CID 2289109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).