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

C18H14ClFN2O4S — CID 124891179

IUPACN'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O4S/c19-13-8-12(3-4-14(13)20)22-17(24)16(23)21-10-18(25,11-5-7-27-9-11)15-2-1-6-26-15/h1-9,25H,10H2,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyAXJUQYWFOSKNGS-GOSISDBHSA-N
MW408.84 g/mol
LogP3.12
Rot. Bonds5

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

N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide (PubChem CID 124891179) has the molecular formula C18H14ClFN2O4S and a molecular weight of 408.84 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
PubChem CID124891179
Molecular FormulaC18H14ClFN2O4S
Molecular Weight408.84 g/mol
Exact Mass408.03
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
SMILESO=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O4S/c19-13-8-12(3-4-14(13)20)22-17(24)16(23)21-10-18(25,11-5-7-27-9-11)15-2-1-6-26-15/h1-9,25H,10H2,(H,21,23)(H,22,24)/t18-/m1/s1
InChIKeyAXJUQYWFOSKNGS-GOSISDBHSA-N
XLogP3.12
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.12
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'-(2,5-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-hydroxypropyl]oxamide
CID 95983710
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 126852459
1-(1,3-benzodioxol-5-yl)-3-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 119101158
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
2,6-difluoro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 124891054
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide (CID 124891179) is N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide is O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
The InChIKey is AXJUQYWFOSKNGS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14ClFN2O4S/c19-13-8-12(3-4-14(13)20)22-17(24)16(23)21-10-18(25,11-5-7-27-9-11)15-2-1-6-26-15/h1-9,25H,10H2,(H,21,23)(H,22,24)/t18-/m1/s1.
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide has a molecular weight of 408.84 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 124891179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).