N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide

C19H17FN2O4S — CID 119101151

IUPACN-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccsc1)c1ccco1
InChIInChI=1S/C19H17FN2O4S/c20-15-5-3-13(4-6-15)10-21-17(23)18(24)22-12-19(25,14-7-9-27-11-14)16-2-1-8-26-16/h1-9,11,25H,10,12H2,(H,21,23)(H,22,24)
InChIKeyJMGSUJMGOVDCAD-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.15
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide (PubChem CID 119101151) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
PubChem CID119101151
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccsc1)c1ccco1
InChIInChI=1S/C19H17FN2O4S/c20-15-5-3-13(4-6-15)10-21-17(23)18(24)22-12-19(25,14-7-9-27-11-14)16-2-1-8-26-16/h1-9,11,25H,10,12H2,(H,21,23)(H,22,24)
InChIKeyJMGSUJMGOVDCAD-UHFFFAOYSA-N
XLogP2.15
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
N'-(2,5-difluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124760719
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124891179
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 71781543
N'-[2-(furan-2-yl)-2-hydroxypropyl]-N-(thiophen-3-ylmethyl)oxamide
CID 121085924
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 124727836

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide (CID 119101151) is N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccsc1)c1ccco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
The InChIKey is JMGSUJMGOVDCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c20-15-5-3-13(4-6-15)10-21-17(23)18(24)22-12-19(25,14-7-9-27-11-14)16-2-1-8-26-16/h1-9,11,25H,10,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide has a molecular weight of 388.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 119101151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).