2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide

C15H21N3O2S — CID 797519

IUPAC2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
SMILESCc1ccccc1C(=O)NC(=S)NCCN1CCOCC1
InChIInChI=1S/C15H21N3O2S/c1-12-4-2-3-5-13(12)14(19)17-15(21)16-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H2,16,17,19,21)
InChIKeySSGWXJMFZLUGSD-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.93
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide

2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide (PubChem CID 797519) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
PubChem CID797519
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
SMILESCc1ccccc1C(=O)NC(=S)NCCN1CCOCC1
InChIInChI=1S/C15H21N3O2S/c1-12-4-2-3-5-13(12)14(19)17-15(21)16-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H2,16,17,19,21)
InChIKeySSGWXJMFZLUGSD-UHFFFAOYSA-N
XLogP0.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide (CID 797519) is 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide is Cc1ccccc1C(=O)NC(=S)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The InChIKey is SSGWXJMFZLUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-4-2-3-5-13(12)14(19)17-15(21)16-6-7-18-8-10-20-11-9-18/h2-5H,6-11H2,1H3,(H2,16,17,19,21).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide has a molecular weight of 307.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide is sourced from PubChem (CID 797519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).