N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C23H25N3O3S — CID 43811972

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C23H25N3O3S/c27-22(25-17-8-2-1-3-9-17)21(20-12-7-15-30-20)26(16-18-10-6-14-29-18)23(28)19-11-4-5-13-24-19/h4-7,10-15,17,21H,1-3,8-9,16H2,(H,25,27)
InChIKeyFATAJGWGEJHZDE-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.57
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 43811972) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID43811972
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C23H25N3O3S/c27-22(25-17-8-2-1-3-9-17)21(20-12-7-15-30-20)26(16-18-10-6-14-29-18)23(28)19-11-4-5-13-24-19/h4-7,10-15,17,21H,1-3,8-9,16H2,(H,25,27)
InChIKeyFATAJGWGEJHZDE-UHFFFAOYSA-N
XLogP4.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 43811972) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FATAJGWGEJHZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-22(25-17-8-2-1-3-9-17)21(20-12-7-15-30-20)26(16-18-10-6-14-29-18)23(28)19-11-4-5-13-24-19/h4-7,10-15,17,21H,1-3,8-9,16H2,(H,25,27).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 43811972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).