2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide

C14H17Cl2N3O2S — CID 1190178

IUPAC2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2S/c15-10-1-2-11(12(16)9-10)13(20)18-14(22)17-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,17,18,20,22)
InChIKeyNOCRPWYRQJOMQV-UHFFFAOYSA-N
MW362.28 g/mol
LogP1.93
Rot. Bonds4

About 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide

2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide (PubChem CID 1190178) has the molecular formula C14H17Cl2N3O2S and a molecular weight of 362.28 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
PubChem CID1190178
Molecular FormulaC14H17Cl2N3O2S
Molecular Weight362.28 g/mol
Exact Mass361.04
IUPAC Name2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2S/c15-10-1-2-11(12(16)9-10)13(20)18-14(22)17-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,17,18,20,22)
InChIKeyNOCRPWYRQJOMQV-UHFFFAOYSA-N
XLogP1.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 51.93
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 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide (CID 1190178) is 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide is O=C(NC(=S)NCCN1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
The InChIKey is NOCRPWYRQJOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2S/c15-10-1-2-11(12(16)9-10)13(20)18-14(22)17-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,17,18,20,22).
What are the key properties of 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide?
2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide has a molecular weight of 362.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-morpholin-4-ylethylcarbamothioyl)benzamide is sourced from PubChem (CID 1190178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).