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

C22H24N2O3S2 — CID 654363

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1
InChIInChI=1S/C22H24N2O3S2/c25-21(23-16-7-2-1-3-8-16)20(19-11-6-14-29-19)24(15-17-9-5-13-28-17)22(26)18-10-4-12-27-18/h4-6,9-14,16,20H,1-3,7-8,15H2,(H,23,25)
InChIKeyCHCBLPOWQIZKFW-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.24
Rot. Bonds7

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

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 654363) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID654363
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1
InChIInChI=1S/C22H24N2O3S2/c25-21(23-16-7-2-1-3-8-16)20(19-11-6-14-29-19)24(15-17-9-5-13-28-17)22(26)18-10-4-12-27-18/h4-6,9-14,16,20H,1-3,7-8,15H2,(H,23,25)
InChIKeyCHCBLPOWQIZKFW-UHFFFAOYSA-N
XLogP5.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.24
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-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 654363) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is CHCBLPOWQIZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c25-21(23-16-7-2-1-3-8-16)20(19-11-6-14-29-19)24(15-17-9-5-13-28-17)22(26)18-10-4-12-27-18/h4-6,9-14,16,20H,1-3,7-8,15H2,(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.24, 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-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 654363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).