N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide

C20H20N2O3S — CID 129355793

IUPACN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1)c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-14(15-5-3-2-4-6-15)22-20(24)19(23)21-11-9-17-7-8-18(26-17)16-10-12-25-13-16/h2-8,10,12-14H,9,11H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyAPQZNNDRKPJACQ-AWEZNQCLSA-N
MW368.46 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 129355793) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID129355793
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1)c1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-14(15-5-3-2-4-6-15)22-20(24)19(23)21-11-9-17-7-8-18(26-17)16-10-12-25-13-16/h2-8,10,12-14H,9,11H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyAPQZNNDRKPJACQ-AWEZNQCLSA-N
XLogP3.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 121019470
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-2-thiophen-3-ylacetamide
CID 119102189
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 119102193
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121019439

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 129355793) is N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NCCc1ccc(-c2ccoc2)s1)c1ccccc1.
What is the InChIKey of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is APQZNNDRKPJACQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14(15-5-3-2-4-6-15)22-20(24)19(23)21-11-9-17-7-8-18(26-17)16-10-12-25-13-16/h2-8,10,12-14H,9,11H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 368.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 129355793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).