2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide

C15H20BrClN2O2S — CID 88823559

IUPAC2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
SMILESBr.O=C(C(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S.BrH/c16-13-4-2-12(3-5-13)14(19)15(21)17-6-1-7-18-8-10-20-11-9-18;/h2-5H,1,6-11H2,(H,17,21);1H
InChIKeyRAMUKGSXDRJHBU-UHFFFAOYSA-N
MW407.76 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide

2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide (PubChem CID 88823559) has the molecular formula C15H20BrClN2O2S and a molecular weight of 407.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
PubChem CID88823559
Molecular FormulaC15H20BrClN2O2S
Molecular Weight407.76 g/mol
Exact Mass406.01
IUPAC Name2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
SMILESBr.O=C(C(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S.BrH/c16-13-4-2-12(3-5-13)14(19)15(21)17-6-1-7-18-8-10-20-11-9-18;/h2-5H,1,6-11H2,(H,17,21);1H
InChIKeyRAMUKGSXDRJHBU-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolidine-4-carboxamide
CID 134057576
5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide (CID 88823559) is 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide is Br.O=C(C(=S)NCCCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide?
The InChIKey is RAMUKGSXDRJHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S.BrH/c16-13-4-2-12(3-5-13)14(19)15(21)17-6-1-7-18-8-10-20-11-9-18;/h2-5H,1,6-11H2,(H,17,21);1H.
What are the key properties of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide?
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide has a molecular weight of 407.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide is sourced from PubChem (CID 88823559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).