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

C14H18ClN3O2S — CID 2792216

IUPAC2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2S/c15-12-4-2-1-3-11(12)13(19)17-14(21)16-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H2,16,17,19,21)
InChIKeyZWRDRSCIYXMUKS-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.28
Rot. Bonds4

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

2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide (PubChem CID 2792216) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
PubChem CID2792216
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2S/c15-12-4-2-1-3-11(12)13(19)17-14(21)16-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H2,16,17,19,21)
InChIKeyZWRDRSCIYXMUKS-UHFFFAOYSA-N
XLogP1.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.28
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

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
2,4-dichloro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2910044
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
CID 822765
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
4-chloro-N-[(2,6-dimethyl-4-morpholinyl)carbonothioyl]benzamide
CID 2908676
N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide
CID 2908732
N-(azepane-1-carbothioyl)-2-chlorobenzamide
CID 732342
2,5-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 2162726
2,4-dichloro-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2165284
2-chloro-N-(2,2,2-trichloro-1-morpholinoethyl)benzamide
CID 2834307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide (CID 2792216) is 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide is O=C(NC(=S)NCCN1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The InChIKey is ZWRDRSCIYXMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-12-4-2-1-3-11(12)13(19)17-14(21)16-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H2,16,17,19,21).
What are the key properties of 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide has a molecular weight of 327.84 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide is sourced from PubChem (CID 2792216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).