N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide

C19H18N2O5S — CID 129357446

IUPACN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C19H18N2O5S/c1-25-16-5-3-2-4-13(16)21-19(24)18(23)20-10-14(22)17-7-6-15(26-17)12-8-9-27-11-12/h2-9,11,14,22H,10H2,1H3,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyRERCERJUVQJFHA-AWEZNQCLSA-N
MW386.43 g/mol
LogP2.81
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide

N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide (PubChem CID 129357446) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
PubChem CID129357446
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C19H18N2O5S/c1-25-16-5-3-2-4-13(16)21-19(24)18(23)20-10-14(22)17-7-6-15(26-17)12-8-9-27-11-12/h2-9,11,14,22H,10H2,1H3,(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyRERCERJUVQJFHA-AWEZNQCLSA-N
XLogP2.81
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
N'-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356579
N'-[4-(dimethylamino)phenyl]-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356578
N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide (CID 129357446) is N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
The InChIKey is RERCERJUVQJFHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-25-16-5-3-2-4-13(16)21-19(24)18(23)20-10-14(22)17-7-6-15(26-17)12-8-9-27-11-12/h2-9,11,14,22H,10H2,1H3,(H,20,23)(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide?
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide has a molecular weight of 386.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 129357446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).