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

C22H21N3O2S — CID 1090348

IUPACN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O2S/c26-21(17-5-2-1-3-6-17)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)22(27)20-7-4-16-28-20/h1-11,16H,12-15H2,(H,23,26)
InChIKeyYIVFDBNCPQYJPM-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.96
Rot. Bonds4

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

N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1090348) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1090348
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O2S/c26-21(17-5-2-1-3-6-17)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)22(27)20-7-4-16-28-20/h1-11,16H,12-15H2,(H,23,26)
InChIKeyYIVFDBNCPQYJPM-UHFFFAOYSA-N
XLogP3.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]benzamide?
The IUPAC name of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (CID 1090348) is N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is YIVFDBNCPQYJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-21(17-5-2-1-3-6-17)23-18-8-10-19(11-9-18)24-12-14-25(15-13-24)22(27)20-7-4-16-28-20/h1-11,16H,12-15H2,(H,23,26).
What are the key properties of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 391.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1090348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).