N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide

C25H28N4O2S — CID 1167471

IUPACN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1
InChIInChI=1S/C25H28N4O2S/c1-17-8-10-20(11-9-17)29(25(31)21-16-26-13-14-27-21)22(23-18(2)12-15-32-23)24(30)28-19-6-4-3-5-7-19/h8-16,19,22H,3-7H2,1-2H3,(H,28,30)/t22-/m1/s1
InChIKeyHYJHXTGKFMZUTB-JOCHJYFZSA-N
MW448.59 g/mol
LogP4.99
Rot. Bonds6

About N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide

N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 1167471) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
PubChem CID1167471
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1
InChIInChI=1S/C25H28N4O2S/c1-17-8-10-20(11-9-17)29(25(31)21-16-26-13-14-27-21)22(23-18(2)12-15-32-23)24(30)28-19-6-4-3-5-7-19/h8-16,19,22H,3-7H2,1-2H3,(H,28,30)/t22-/m1/s1
InChIKeyHYJHXTGKFMZUTB-JOCHJYFZSA-N
XLogP4.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1167485
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 3173742
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 3184615
N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 1452011
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-hydroxyphenyl)pyrazine-2-carboxamide
CID 3173750
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-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 1167269
N-[2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184783
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 51552791
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide (CID 1167471) is N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide is Cc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2sccc2C)cc1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is HYJHXTGKFMZUTB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17-8-10-20(11-9-17)29(25(31)21-16-26-13-14-27-21)22(23-18(2)12-15-32-23)24(30)28-19-6-4-3-5-7-19/h8-16,19,22H,3-7H2,1-2H3,(H,28,30)/t22-/m1/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide?
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1167471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).