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

C22H20FN3O2S — CID 1088840

IUPAC4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H20FN3O2S/c23-17-5-3-16(4-6-17)21(27)24-18-7-9-19(10-8-18)25-11-13-26(14-12-25)22(28)20-2-1-15-29-20/h1-10,15H,11-14H2,(H,24,27)
InChIKeyXUNBWMMQWOMGNG-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.10
Rot. Bonds4

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

4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1088840) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1088840
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H20FN3O2S/c23-17-5-3-16(4-6-17)21(27)24-18-7-9-19(10-8-18)25-11-13-26(14-12-25)22(28)20-2-1-15-29-20/h1-10,15H,11-14H2,(H,24,27)
InChIKeyXUNBWMMQWOMGNG-UHFFFAOYSA-N
XLogP4.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.10
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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Related Compounds

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N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155512662
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CID 4204024
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218560
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
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N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (CID 1088840) is 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is XUNBWMMQWOMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-17-5-3-16(4-6-17)21(27)24-18-7-9-19(10-8-18)25-11-13-26(14-12-25)22(28)20-2-1-15-29-20/h1-10,15H,11-14H2,(H,24,27).
What are the key properties of 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1088840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).