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

C18H19N3O2S — CID 21215408

IUPACN-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-17(14-6-2-1-3-7-14)20-18(24)19-15-8-4-5-9-16(15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24)
InChIKeyFDNNZOJDYOATJZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.65
Rot. Bonds3

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

N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (PubChem CID 21215408) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
PubChem CID21215408
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-17(14-6-2-1-3-7-14)20-18(24)19-15-8-4-5-9-16(15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24)
InChIKeyFDNNZOJDYOATJZ-UHFFFAOYSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1017014
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-(phenoxymethyl)benzamide
CID 1312311
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4511810
3,4-dichloro-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1278265
4-butan-2-yloxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3287448
methyl 4-morpholin-4-yl-3-[(4-phenylbenzoyl)carbamothioylamino]benzoate
CID 17336444
4-iodo-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 4502371
(Z)-4-(2-morpholin-4-ylanilino)-4-oxo-3-phenylbut-2-enoate
CID 1236346
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17116130
5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1290230
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-bromobenzamide
CID 17110048

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide (CID 21215408) is N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The InChIKey is FDNNZOJDYOATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(14-6-2-1-3-7-14)20-18(24)19-15-8-4-5-9-16(15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24).
What are the key properties of N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide?
N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide has a molecular weight of 341.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 21215408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).