N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide

C25H26N4O3S — CID 3173742

IUPACN-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2cccs2)cc1
InChIInChI=1S/C25H26N4O3S/c1-17(30)18-9-11-20(12-10-18)29(25(32)21-16-26-13-14-27-21)23(22-8-5-15-33-22)24(31)28-19-6-3-2-4-7-19/h5,8-16,19,23H,2-4,6-7H2,1H3,(H,28,31)
InChIKeyNYDHMDBQQZVRIX-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.58
Rot. Bonds7

About N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide

N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 3173742) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
PubChem CID3173742
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2cccs2)cc1
InChIInChI=1S/C25H26N4O3S/c1-17(30)18-9-11-20(12-10-18)29(25(32)21-16-26-13-14-27-21)23(22-8-5-15-33-22)24(31)28-19-6-3-2-4-7-19/h5,8-16,19,23H,2-4,6-7H2,1H3,(H,28,31)
InChIKeyNYDHMDBQQZVRIX-UHFFFAOYSA-N
XLogP4.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 43811532
N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1140610
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205928
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 1167471
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184828
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide (CID 3173742) is N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide is CC(=O)c1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2cccs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is NYDHMDBQQZVRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17(30)18-9-11-20(12-10-18)29(25(32)21-16-26-13-14-27-21)23(22-8-5-15-33-22)24(31)28-19-6-3-2-4-7-19/h5,8-16,19,23H,2-4,6-7H2,1H3,(H,28,31).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3173742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).