3-methoxy-N-(morpholine-4-carbothioyl)benzamide

C13H16N2O3S — CID 5372118

IUPAC3-methoxy-N-(morpholine-4-carbothioyl)benzamide
SMILESCOc1cccc(C(=O)NC(=S)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O3S/c1-17-11-4-2-3-10(9-11)12(16)14-13(19)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16,19)
InChIKeyLOEGCMJIWVABPA-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.04
Rot. Bonds2

About 3-methoxy-N-(morpholine-4-carbothioyl)benzamide

3-methoxy-N-(morpholine-4-carbothioyl)benzamide (PubChem CID 5372118) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-methoxy-N-(morpholine-4-carbothioyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(morpholine-4-carbothioyl)benzamide
PubChem CID5372118
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-methoxy-N-(morpholine-4-carbothioyl)benzamide
SMILESCOc1cccc(C(=O)NC(=S)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O3S/c1-17-11-4-2-3-10(9-11)12(16)14-13(19)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16,19)
InChIKeyLOEGCMJIWVABPA-UHFFFAOYSA-N
XLogP1.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955233
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-3-methoxybenzamide
CID 54860110
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
methyl 3-(pyrrolidine-1-carbothioylcarbamoyl)benzoate
CID 17175572
4-tert-butyl-N-(morpholine-4-carbothioyl)benzamide
CID 2732832
3-bromo-4-(2-methoxyethoxy)-N-(morpholine-4-carbothioyl)benzamide
CID 17356881
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-(4-methylpiperazine-1-carbothioyl)-3-propoxybenzamide
CID 4960315
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 125420203
N-[C-(4-methoxyphenyl)-N-phenacylcarbonimidoyl]morpholine-4-carbothioamide
CID 10548842
4-butan-2-yloxy-N-(morpholine-4-carbothioyl)benzamide
CID 17141521
N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-3-propoxybenzamide
CID 17102874

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(morpholine-4-carbothioyl)benzamide?
The IUPAC name of 3-methoxy-N-(morpholine-4-carbothioyl)benzamide (CID 5372118) is 3-methoxy-N-(morpholine-4-carbothioyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(morpholine-4-carbothioyl)benzamide?
The canonical SMILES for 3-methoxy-N-(morpholine-4-carbothioyl)benzamide is COc1cccc(C(=O)NC(=S)N2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-(morpholine-4-carbothioyl)benzamide?
The InChIKey is LOEGCMJIWVABPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-11-4-2-3-10(9-11)12(16)14-13(19)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16,19).
What are the key properties of 3-methoxy-N-(morpholine-4-carbothioyl)benzamide?
3-methoxy-N-(morpholine-4-carbothioyl)benzamide has a molecular weight of 280.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(morpholine-4-carbothioyl)benzamide is sourced from PubChem (CID 5372118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).