N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C20H19N3O3S — CID 1088834

IUPACN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccco1
InChIInChI=1S/C20H19N3O3S/c24-19(17-3-1-13-26-17)21-15-5-7-16(8-6-15)22-9-11-23(12-10-22)20(25)18-4-2-14-27-18/h1-8,13-14H,9-12H2,(H,21,24)
InChIKeyRLNCSPYXDTTXJQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.56
Rot. Bonds4

About N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 1088834) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
PubChem CID1088834
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccco1
InChIInChI=1S/C20H19N3O3S/c24-19(17-3-1-13-26-17)21-15-5-7-16(8-6-15)22-9-11-23(12-10-22)20(25)18-4-2-14-27-18/h1-8,13-14H,9-12H2,(H,21,24)
InChIKeyRLNCSPYXDTTXJQ-UHFFFAOYSA-N
XLogP3.56
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 1088834) is N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is RLNCSPYXDTTXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-19(17-3-1-13-26-17)21-15-5-7-16(8-6-15)22-9-11-23(12-10-22)20(25)18-4-2-14-27-18/h1-8,13-14H,9-12H2,(H,21,24).
What are the key properties of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1088834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).