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

C19H20BrN3O3S — CID 1290230

IUPAC5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20BrN3O3S/c1-25-17-7-6-13(20)12-14(17)18(24)22-19(27)21-15-4-2-3-5-16(15)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H2,21,22,24,27)
InChIKeyHSBFMTGGADVIAN-UHFFFAOYSA-N
MW450.36 g/mol
LogP3.42
Rot. Bonds4

About 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide

5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (PubChem CID 1290230) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
PubChem CID1290230
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC Name5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H20BrN3O3S/c1-25-17-7-6-13(20)12-14(17)18(24)22-19(27)21-15-4-2-3-5-16(15)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H2,21,22,24,27)
InChIKeyHSBFMTGGADVIAN-UHFFFAOYSA-N
XLogP3.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2-bromophenyl)carbamothioyl]-2-methoxybenzamide
CID 17094507
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 21215408
methyl 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate
CID 17099087
5-bromo-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17094493
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4511810
1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17272352
methyl 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336384
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141
5-bromo-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17094596
4-iodo-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1017014
3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1278265

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (CID 1290230) is 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The InChIKey is HSBFMTGGADVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c1-25-17-7-6-13(20)12-14(17)18(24)22-19(27)21-15-4-2-3-5-16(15)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H2,21,22,24,27).
What are the key properties of 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide has a molecular weight of 450.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1290230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).