N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide

C20H22N2O4S — CID 4955233

IUPACN-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide
SMILESO=C(NC(=S)N1CCOCC1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H22N2O4S/c23-19(21-20(27)22-9-11-24-12-10-22)16-5-4-8-18(15-16)26-14-13-25-17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,21,23,27)
InChIKeyJHSDJGJTTSCRCY-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.49
Rot. Bonds6

About N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide

N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide (PubChem CID 4955233) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide
PubChem CID4955233
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide
SMILESO=C(NC(=S)N1CCOCC1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H22N2O4S/c23-19(21-20(27)22-9-11-24-12-10-22)16-5-4-8-18(15-16)26-14-13-25-17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,21,23,27)
InChIKeyJHSDJGJTTSCRCY-UHFFFAOYSA-N
XLogP2.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-benzylpiperazine-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 17174789
3-methoxy-N-(morpholine-4-carbothioyl)benzamide
CID 5372118
N-(4-benzylpiperazine-1-carbothioyl)-3-(2-phenylethoxy)benzamide
CID 17174821
N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953016
N-(4-methylpiperazine-1-carbothioyl)-3-propoxybenzamide
CID 4960315
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955256
4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
CID 4950894
N-(methylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955357
3-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4957109
3-bromo-4-(2-methoxyethoxy)-N-(morpholine-4-carbothioyl)benzamide
CID 17356881
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
N-[4-(2-cyanoethyl)piperazine-1-carbothioyl]-3-propoxybenzamide
CID 54788357

Frequently Asked Questions

What is the IUPAC name of N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide (CID 4955233) is N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide is O=C(NC(=S)N1CCOCC1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide?
The InChIKey is JHSDJGJTTSCRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-19(21-20(27)22-9-11-24-12-10-22)16-5-4-8-18(15-16)26-14-13-25-17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,21,23,27).
What are the key properties of N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide?
N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide has a molecular weight of 386.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholine-4-carbothioyl)-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4955233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).