N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide

C18H20N4O3S — CID 3775662

IUPACN-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N4O3S/c1-13(23)19-18(26)20-14-4-6-15(7-5-14)21-8-10-22(11-9-21)17(24)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H2,19,20,23,26)
InChIKeyGNMBHDXREXDVBK-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.07
Rot. Bonds3

About N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide

N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide (PubChem CID 3775662) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
PubChem CID3775662
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N4O3S/c1-13(23)19-18(26)20-14-4-6-15(7-5-14)21-8-10-22(11-9-21)17(24)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H2,19,20,23,26)
InChIKeyGNMBHDXREXDVBK-UHFFFAOYSA-N
XLogP2.07
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 1397200
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 17317961
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 978363
3-chloro-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide
CID 1395424
2-(1-adamantyl)-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
CID 17116254
5-chloro-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 17358128
N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 1288299
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 17100035
(E)-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17313460
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108986173
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-methoxybenzamide
CID 3161473

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide?
The IUPAC name of N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide (CID 3775662) is N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide.
What is the SMILES notation for N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide?
The canonical SMILES for N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide?
The InChIKey is GNMBHDXREXDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13(23)19-18(26)20-14-4-6-15(7-5-14)21-8-10-22(11-9-21)17(24)16-3-2-12-25-16/h2-7,12H,8-11H2,1H3,(H2,19,20,23,26).
What are the key properties of N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide?
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 3775662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).