N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C23H26N4O2S2 — CID 1167485

IUPACN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccsc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C23H26N4O2S2/c1-16-9-13-31-21(16)20(22(28)26-17-6-3-2-4-7-17)27(15-18-8-5-12-30-18)23(29)19-14-24-10-11-25-19/h5,8-14,17,20H,2-4,6-7,15H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyVRHXLCSDCGCEOC-HXUWFJFHSA-N
MW454.62 g/mol
LogP4.74
Rot. Bonds7

About N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 1167485) has the molecular formula C23H26N4O2S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID1167485
Molecular FormulaC23H26N4O2S2
Molecular Weight454.62 g/mol
Exact Mass454.15
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1ccsc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C23H26N4O2S2/c1-16-9-13-31-21(16)20(22(28)26-17-6-3-2-4-7-17)27(15-18-8-5-12-30-18)23(29)19-14-24-10-11-25-19/h5,8-14,17,20H,2-4,6-7,15H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyVRHXLCSDCGCEOC-HXUWFJFHSA-N
XLogP4.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1167351
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 1167471
N-[2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184783
N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methylthiophen-2-yl)acetamide
CID 652619
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methylthiophen-2-yl)acetamide
CID 25311015
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1458307
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 7435195
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 3173742
N-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-thiophen-2-ylpyrazine-2-carboxamide
CID 46262688
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]pyrazine-2-carboxamide
CID 3184838
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1435551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 1167485) is N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is Cc1ccsc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is VRHXLCSDCGCEOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O2S2/c1-16-9-13-31-21(16)20(22(28)26-17-6-3-2-4-7-17)27(15-18-8-5-12-30-18)23(29)19-14-24-10-11-25-19/h5,8-14,17,20H,2-4,6-7,15H2,1H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1167485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).