N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide

C24H25N3O2S — CID 3205945

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C24H25N3O2S/c28-23(26-18-10-3-1-4-11-18)22(21-15-9-17-30-21)27(19-12-5-2-6-13-19)24(29)20-14-7-8-16-25-20/h2,5-9,12-18,22H,1,3-4,10-11H2,(H,26,28)
InChIKeyDNGNPUCBTKGKFO-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.98
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide (PubChem CID 3205945) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
PubChem CID3205945
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C24H25N3O2S/c28-23(26-18-10-3-1-4-11-18)22(21-15-9-17-30-21)27(19-12-5-2-6-13-19)24(29)20-14-7-8-16-25-20/h2,5-9,12-18,22H,1,3-4,10-11H2,(H,26,28)
InChIKeyDNGNPUCBTKGKFO-UHFFFAOYSA-N
XLogP4.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide (CID 3205945) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
The InChIKey is DNGNPUCBTKGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-23(26-18-10-3-1-4-11-18)22(21-15-9-17-30-21)27(19-12-5-2-6-13-19)24(29)20-14-7-8-16-25-20/h2,5-9,12-18,22H,1,3-4,10-11H2,(H,26,28).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 3205945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).