N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide

C19H23FN2O5S — CID 7268216

IUPACN'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O5S/c1-13(2)9-10-21-18(23)19(24)22-12-17(16-4-3-11-27-16)28(25,26)15-7-5-14(20)6-8-15/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyBWHUDXGOOGOCOF-QGZVFWFLSA-N
MW410.47 g/mol
LogP2.21
Rot. Bonds8

About N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide

N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide (PubChem CID 7268216) has the molecular formula C19H23FN2O5S and a molecular weight of 410.47 g/mol. Its IUPAC name is N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
PubChem CID7268216
Molecular FormulaC19H23FN2O5S
Molecular Weight410.47 g/mol
Exact Mass410.13
IUPAC NameN'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O5S/c1-13(2)9-10-21-18(23)19(24)22-12-17(16-4-3-11-27-16)28(25,26)15-7-5-14(20)6-8-15/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1
InChIKeyBWHUDXGOOGOCOF-QGZVFWFLSA-N
XLogP2.21
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 40773624
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 27555108
1,1-diethyl-3-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]urea
CID 110315018
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide (CID 7268216) is N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
The InChIKey is BWHUDXGOOGOCOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN2O5S/c1-13(2)9-10-21-18(23)19(24)22-12-17(16-4-3-11-27-16)28(25,26)15-7-5-14(20)6-8-15/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide has a molecular weight of 410.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 7268216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).