N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C23H20N4O2S2 — CID 3188518

IUPACN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1cccs1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C23H20N4O2S2/c28-22(26-14-17-6-2-1-3-7-17)21(20-9-5-13-31-20)27(16-18-8-4-12-30-18)23(29)19-15-24-10-11-25-19/h1-13,15,21H,14,16H2,(H,26,28)
InChIKeyOFNMHHKOZUNRTH-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.30
Rot. Bonds8

About N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 3188518) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID3188518
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC NameN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1cccs1)N(Cc1cccs1)C(=O)c1cnccn1
InChIInChI=1S/C23H20N4O2S2/c28-22(26-14-17-6-2-1-3-7-17)21(20-9-5-13-31-20)27(16-18-8-4-12-30-18)23(29)19-15-24-10-11-25-19/h1-13,15,21H,14,16H2,(H,26,28)
InChIKeyOFNMHHKOZUNRTH-UHFFFAOYSA-N
XLogP4.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 3188518) is N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccccc1)C(c1cccs1)N(Cc1cccs1)C(=O)c1cnccn1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is OFNMHHKOZUNRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c28-22(26-14-17-6-2-1-3-7-17)21(20-9-5-13-31-20)27(16-18-8-4-12-30-18)23(29)19-15-24-10-11-25-19/h1-13,15,21H,14,16H2,(H,26,28).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3188518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).