3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide

C19H21N3O3S — CID 1294122

IUPAC3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H21N3O3S/c1-24-15-6-4-5-14(13-15)18(23)21-19(26)20-16-7-2-3-8-17(16)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23,26)
InChIKeyBTVWMYKMBLTIJH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.66
Rot. Bonds4

About 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide

3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (PubChem CID 1294122) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
PubChem CID1294122
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H21N3O3S/c1-24-15-6-4-5-14(13-15)18(23)21-19(26)20-16-7-2-3-8-17(16)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23,26)
InChIKeyBTVWMYKMBLTIJH-UHFFFAOYSA-N
XLogP2.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (CID 1294122) is 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The InChIKey is BTVWMYKMBLTIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-24-15-6-4-5-14(13-15)18(23)21-19(26)20-16-7-2-3-8-17(16)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3,(H2,20,21,23,26).
What are the key properties of 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1294122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).