N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C26H30N4O3S — CID 1167351

IUPACN-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cnccn2)cc1
InChIInChI=1S/C26H30N4O3S/c1-2-33-21-12-10-19(11-13-21)24(25(31)29-20-7-4-3-5-8-20)30(18-22-9-6-16-34-22)26(32)23-17-27-14-15-28-23/h6,9-17,20,24H,2-5,7-8,18H2,1H3,(H,29,31)/t24-/m1/s1
InChIKeyVXZOOBYXSVIHSL-XMMPIXPASA-N
MW478.62 g/mol
LogP4.77
Rot. Bonds9

About N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 1167351) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID1167351
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cnccn2)cc1
InChIInChI=1S/C26H30N4O3S/c1-2-33-21-12-10-19(11-13-21)24(25(31)29-20-7-4-3-5-8-20)30(18-22-9-6-16-34-22)26(32)23-17-27-14-15-28-23/h6,9-17,20,24H,2-5,7-8,18H2,1H3,(H,29,31)/t24-/m1/s1
InChIKeyVXZOOBYXSVIHSL-XMMPIXPASA-N
XLogP4.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1167485
N-[(1S)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 1167318
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3190993
N-(3-chloro-4-fluorophenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1167321
N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1167455
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168242
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3191107
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1458307
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184838

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 1167351) is N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2cnccn2)cc1.
What is the InChIKey of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is VXZOOBYXSVIHSL-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-2-33-21-12-10-19(11-13-21)24(25(31)29-20-7-4-3-5-8-20)30(18-22-9-6-16-34-22)26(32)23-17-27-14-15-28-23/h6,9-17,20,24H,2-5,7-8,18H2,1H3,(H,29,31)/t24-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1167351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).