N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide

C24H31N3O5S — CID 3220019

IUPACN-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NC1CCCCC1)C(=O)N(CC1CCCO1)C(C(=O)NCc1ccco1)c1cccs1
InChIInChI=1S/C24H31N3O5S/c28-22(25-15-18-9-4-12-31-18)21(20-11-6-14-33-20)27(16-19-10-5-13-32-19)24(30)23(29)26-17-7-2-1-3-8-17/h4,6,9,11-12,14,17,19,21H,1-3,5,7-8,10,13,15-16H2,(H,25,28)(H,26,29)
InChIKeyQAJQVKWLCJKQOQ-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.16
Rot. Bonds8

About N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide

N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 3220019) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID3220019
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NC1CCCCC1)C(=O)N(CC1CCCO1)C(C(=O)NCc1ccco1)c1cccs1
InChIInChI=1S/C24H31N3O5S/c28-22(25-15-18-9-4-12-31-18)21(20-11-6-14-33-20)27(16-19-10-5-13-32-19)24(30)23(29)26-17-7-2-1-3-8-17/h4,6,9,11-12,14,17,19,21H,1-3,5,7-8,10,13,15-16H2,(H,25,28)(H,26,29)
InChIKeyQAJQVKWLCJKQOQ-UHFFFAOYSA-N
XLogP3.16
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 25412922
N-cyclohexyl-N'-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220018
N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
CID 25412581
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(oxolan-2-ylmethyl)thiadiazole-4-carboxamide
CID 3222543
(3S)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 25303121
N-cyclohexyl-N'-[1-(2-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220020
N-cyclohexyl-N'-[(1S)-2-(furan-2-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-propan-2-yloxamide
CID 25412970
N-[2-[[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211419
(3R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1174370
N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3180389
N-cyclopentyl-2-(4-methylphenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202887
N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 652338

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide (CID 3220019) is N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide is O=C(NC1CCCCC1)C(=O)N(CC1CCCO1)C(C(=O)NCc1ccco1)c1cccs1.
What is the InChIKey of N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is QAJQVKWLCJKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c28-22(25-15-18-9-4-12-31-18)21(20-11-6-14-33-20)27(16-19-10-5-13-32-19)24(30)23(29)26-17-7-2-1-3-8-17/h4,6,9,11-12,14,17,19,21H,1-3,5,7-8,10,13,15-16H2,(H,25,28)(H,26,29).
What are the key properties of N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide?
N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 473.60 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3220019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).