3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide

C24H25N3O4S — CID 1255423

IUPAC3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1
InChIInChI=1S/C24H25N3O4S/c1-30-20-14-17(15-21(16-20)31-2)23(28)25-18-5-7-19(8-6-18)26-9-11-27(12-10-26)24(29)22-4-3-13-32-22/h3-8,13-16H,9-12H2,1-2H3,(H,25,28)
InChIKeyACIVKCBUUZMHEJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.98
Rot. Bonds6

About 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide

3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1255423) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1255423
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1
InChIInChI=1S/C24H25N3O4S/c1-30-20-14-17(15-21(16-20)31-2)23(28)25-18-5-7-19(8-6-18)26-9-11-27(12-10-26)24(29)22-4-3-13-32-22/h3-8,13-16H,9-12H2,1-2H3,(H,25,28)
InChIKeyACIVKCBUUZMHEJ-UHFFFAOYSA-N
XLogP3.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 1164619
CID 1164619
CID 16015934
CID 16015934
CID 155560516
CID 155560516
CID 946539
CID 946539
CID 1074729
CID 1074729
CID 1088841
CID 1088841
CID 1164623
CID 1164623
CID 1253503
CID 1253503
CID 1293625
CID 1293625
CID 2379777
CID 2379777
CID 3215942
CID 3215942
CID 8441531
CID 8441531

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide (CID 1255423) is 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is ACIVKCBUUZMHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-30-20-14-17(15-21(16-20)31-2)23(28)25-18-5-7-19(8-6-18)26-9-11-27(12-10-26)24(29)22-4-3-13-32-22/h3-8,13-16H,9-12H2,1-2H3,(H,25,28).
What are the key properties of 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1255423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).