N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide

C22H21N5O3S — CID 53336017

IUPACN-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C22H21N5O3S/c1-15(28)16-2-4-17(5-3-16)26-9-11-27(12-10-26)22(30)20-18(6-13-31-20)25-21(29)19-14-23-7-8-24-19/h2-8,13-14H,9-12H2,1H3,(H,25,29)
InChIKeyOVZVUTHNWKZVLW-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide

N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53336017) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53336017
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C22H21N5O3S/c1-15(28)16-2-4-17(5-3-16)26-9-11-27(12-10-26)22(30)20-18(6-13-31-20)25-21(29)19-14-23-7-8-24-19/h2-8,13-14H,9-12H2,1H3,(H,25,29)
InChIKeyOVZVUTHNWKZVLW-UHFFFAOYSA-N
XLogP2.96
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336004
N-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336010
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335990
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336001
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N'-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrazine-2-carbohydrazide
CID 24616065
1-[4-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 27674640

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide (CID 53336017) is N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is OVZVUTHNWKZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15(28)16-2-4-17(5-3-16)26-9-11-27(12-10-26)22(30)20-18(6-13-31-20)25-21(29)19-14-23-7-8-24-19/h2-8,13-14H,9-12H2,1H3,(H,25,29).
What are the key properties of N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53336017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).