N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide

C16H18N2O6S — CID 7267948

IUPACN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O6S/c19-9-8-17-15(20)16(21)18-11-14(13-7-4-10-24-13)25(22,23)12-5-2-1-3-6-12/h1-7,10,14,19H,8-9,11H2,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyYPMORISUHMZJRQ-AWEZNQCLSA-N
MW366.40 g/mol
LogP0.02
Rot. Bonds7

About N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide (PubChem CID 7267948) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
PubChem CID7267948
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC NameN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O6S/c19-9-8-17-15(20)16(21)18-11-14(13-7-4-10-24-13)25(22,23)12-5-2-1-3-6-12/h1-7,10,14,19H,8-9,11H2,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyYPMORISUHMZJRQ-AWEZNQCLSA-N
XLogP0.02
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.02
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'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 40773624
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92693498
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 40775088
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 27564475
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075
N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 7267957

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide (CID 7267948) is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide?
The InChIKey is YPMORISUHMZJRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O6S/c19-9-8-17-15(20)16(21)18-11-14(13-7-4-10-24-13)25(22,23)12-5-2-1-3-6-12/h1-7,10,14,19H,8-9,11H2,(H,17,20)(H,18,21)/t14-/m0/s1.
What are the key properties of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide?
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide has a molecular weight of 366.40 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 7267948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).