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

C25H28N2O3S — CID 3191424

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(CCc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C25H28N2O3S/c28-24(26-20-11-5-2-6-12-20)23(22-14-8-18-31-22)27(25(29)21-13-7-17-30-21)16-15-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,17-18,20,23H,2,5-6,11-12,15-16H2,(H,26,28)
InChIKeyKVRONVFSLVQHAC-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.22
Rot. Bonds8

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

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 3191424) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID3191424
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCC1)C(c1cccs1)N(CCc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C25H28N2O3S/c28-24(26-20-11-5-2-6-12-20)23(22-14-8-18-31-22)27(25(29)21-13-7-17-30-21)16-15-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,17-18,20,23H,2,5-6,11-12,15-16H2,(H,26,28)
InChIKeyKVRONVFSLVQHAC-UHFFFAOYSA-N
XLogP5.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
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N-[1-(cyclohexylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
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CID 18106531
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CID 19585268
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CID 25163808
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CID 2168157
N-[2-(4-methoxyphenyl)ethyl]-5-[(phenylsulfanyl)methyl]furan-2-carboxamide
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N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide (CID 3191424) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide is O=C(NC1CCCCC1)C(c1cccs1)N(CCc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is KVRONVFSLVQHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c28-24(26-20-11-5-2-6-12-20)23(22-14-8-18-31-22)27(25(29)21-13-7-17-30-21)16-15-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,17-18,20,23H,2,5-6,11-12,15-16H2,(H,26,28).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.22, 8 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-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 3191424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).