2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide

C15H19F3N4O2S — CID 8790320

IUPAC2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(=S)NCCN1CCOCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N4O2S/c16-10-1-2-11(14(18)13(10)17)21-12(23)9-20-15(25)19-3-4-22-5-7-24-8-6-22/h1-2H,3-9H2,(H,21,23)(H2,19,20,25)
InChIKeyYDVCMIJVIARFML-UHFFFAOYSA-N
MW376.40 g/mol
LogP0.84
Rot. Bonds6

About 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide

2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 8790320) has the molecular formula C15H19F3N4O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID8790320
Molecular FormulaC15H19F3N4O2S
Molecular Weight376.40 g/mol
Exact Mass376.12
IUPAC Name2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(=S)NCCN1CCOCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H19F3N4O2S/c16-10-1-2-11(14(18)13(10)17)21-12(23)9-20-15(25)19-3-4-22-5-7-24-8-6-22/h1-2H,3-9H2,(H,21,23)(H2,19,20,25)
InChIKeyYDVCMIJVIARFML-UHFFFAOYSA-N
XLogP0.84
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 7945322
2-morpholin-4-yl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
CID 51251100
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110428777
2,3-difluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 107934440
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
1-[(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2364737
1-(4-iodo-2-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 23964682
1-[(E)-(4-fluorophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6902586
N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
1-morpholin-4-yl-2-(2,3,4-trifluoroanilino)ethanone
CID 28574443
2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111003751
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide (CID 8790320) is 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNC(=S)NCCN1CCOCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is YDVCMIJVIARFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2S/c16-10-1-2-11(14(18)13(10)17)21-12(23)9-20-15(25)19-3-4-22-5-7-24-8-6-22/h1-2H,3-9H2,(H,21,23)(H2,19,20,25).
What are the key properties of 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 376.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 8790320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).