N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide

C24H25N5O3S — CID 1140610

IUPACN-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C24H25N5O3S/c1-16(30)27-18-8-10-19(11-9-18)29(24(32)20-15-25-12-13-26-20)22(21-7-4-14-33-21)23(31)28-17-5-2-3-6-17/h4,7-15,17,22H,2-3,5-6H2,1H3,(H,27,30)(H,28,31)/t22-/m1/s1
InChIKeyLQPDVHVMBAXLQI-JOCHJYFZSA-N
MW463.56 g/mol
LogP3.94
Rot. Bonds7

About N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide

N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 1140610) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
PubChem CID1140610
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C24H25N5O3S/c1-16(30)27-18-8-10-19(11-9-18)29(24(32)20-15-25-12-13-26-20)22(21-7-4-14-33-21)23(31)28-17-5-2-3-6-17/h4,7-15,17,22H,2-3,5-6H2,1H3,(H,27,30)(H,28,31)/t22-/m1/s1
InChIKeyLQPDVHVMBAXLQI-JOCHJYFZSA-N
XLogP3.94
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 3173742
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 43811532
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
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 1167471
N-(3,5-dimethylphenyl)-N-[(1S)-2-(4-fluoroanilino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1434605
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404330
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404331
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
CID 1467642
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide (CID 1140610) is N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide is CC(=O)Nc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is LQPDVHVMBAXLQI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-16(30)27-18-8-10-19(11-9-18)29(24(32)20-15-25-12-13-26-20)22(21-7-4-14-33-21)23(31)28-17-5-2-3-6-17/h4,7-15,17,22H,2-3,5-6H2,1H3,(H,27,30)(H,28,31)/t22-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1140610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).