N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide

C22H21ClN4O2S — CID 46262688

IUPACN-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1cccs1
InChIInChI=1S/C22H21ClN4O2S/c23-16-9-7-15(8-10-16)20(21(28)26-17-4-1-2-5-17)27(19-6-3-13-30-19)22(29)18-14-24-11-12-25-18/h3,6-14,17,20H,1-2,4-5H2,(H,26,28)
InChIKeyYQUMULGADGURKS-UHFFFAOYSA-N
MW440.96 g/mol
LogP4.64
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide

N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide (PubChem CID 46262688) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide
PubChem CID46262688
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC NameN-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1cccs1
InChIInChI=1S/C22H21ClN4O2S/c23-16-9-7-15(8-10-16)20(21(28)26-17-4-1-2-5-17)27(19-6-3-13-30-19)22(29)18-14-24-11-12-25-18/h3,6-14,17,20H,1-2,4-5H2,(H,26,28)
InChIKeyYQUMULGADGURKS-UHFFFAOYSA-N
XLogP4.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 1167269
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 3173742
N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1140610
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-(3-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184828
N-(3-acetylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 43811532
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3184818
N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1167321
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide (CID 46262688) is N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide is O=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1cccs1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide?
The InChIKey is YQUMULGADGURKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c23-16-9-7-15(8-10-16)20(21(28)26-17-4-1-2-5-17)27(19-6-3-13-30-19)22(29)18-14-24-11-12-25-18/h3,6-14,17,20H,1-2,4-5H2,(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide?
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide has a molecular weight of 440.96 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 46262688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).