O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate

C18H17ClN2O3S — CID 1354291

IUPACO-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)N2CCOCC2)c1
InChIInChI=1S/C18H17ClN2O3S/c19-14-4-6-15(7-5-14)20-17(22)13-2-1-3-16(12-13)24-18(25)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKeyNRCXPRCJLOHDJF-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.59
Rot. Bonds3

About O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate

O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate (PubChem CID 1354291) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate.

Molecular Properties

Compound NameO-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate
PubChem CID1354291
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameO-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)N2CCOCC2)c1
InChIInChI=1S/C18H17ClN2O3S/c19-14-4-6-15(7-5-14)20-17(22)13-2-1-3-16(12-13)24-18(25)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,20,22)
InChIKeyNRCXPRCJLOHDJF-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.59
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

3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723
O-[4-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamoyl]phenyl] morpholine-4-carbothioate
CID 126337347
[3-[[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928447
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
3-methoxy-N-(morpholine-4-carbothioyl)benzamide
CID 5372118
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
[3-[[4-[[2-(oxan-4-yl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927767
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 5202976
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825

Frequently Asked Questions

What is the IUPAC name of O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate?
The IUPAC name of O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate (CID 1354291) is O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate.
What is the SMILES notation for O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate?
The canonical SMILES for O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate is O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)N2CCOCC2)c1.
What is the InChIKey of O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate?
The InChIKey is NRCXPRCJLOHDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-14-4-6-15(7-5-14)20-17(22)13-2-1-3-16(12-13)24-18(25)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,20,22).
What are the key properties of O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate?
O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate has a molecular weight of 376.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[(4-chlorophenyl)carbamoyl]phenyl] morpholine-4-carbothioate is sourced from PubChem (CID 1354291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).