N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide

C24H23N7O2S — CID 648232

IUPACN-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3)CC2)n1)c1cccs1
InChIInChI=1S/C24H23N7O2S/c32-22(30-14-12-29(13-15-30)18-7-2-1-3-8-18)17-31-27-23(26-28-31)19-9-4-5-10-20(19)25-24(33)21-11-6-16-34-21/h1-11,16H,12-15,17H2,(H,25,33)
InChIKeyCSZLYJRZCFHRAO-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide

N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide (PubChem CID 648232) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
PubChem CID648232
Molecular FormulaC24H23N7O2S
Molecular Weight473.56 g/mol
Exact Mass473.16
IUPAC NameN-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3)CC2)n1)c1cccs1
InChIInChI=1S/C24H23N7O2S/c32-22(30-14-12-29(13-15-30)18-7-2-1-3-8-18)17-31-27-23(26-28-31)19-9-4-5-10-20(19)25-24(33)21-11-6-16-34-21/h1-11,16H,12-15,17H2,(H,25,33)
InChIKeyCSZLYJRZCFHRAO-UHFFFAOYSA-N
XLogP3.00
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide (CID 648232) is N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCN(c3ccccc3)CC2)n1)c1cccs1.
What is the InChIKey of N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is CSZLYJRZCFHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c32-22(30-14-12-29(13-15-30)18-7-2-1-3-8-18)17-31-27-23(26-28-31)19-9-4-5-10-20(19)25-24(33)21-11-6-16-34-21/h1-11,16H,12-15,17H2,(H,25,33).
What are the key properties of N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide?
N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]tetrazol-5-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 648232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).