N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide

C22H26N2O5S — CID 27564475

IUPACN'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O5S/c25-21(23-14-13-17-8-3-1-4-9-17)22(26)24-16-20(19-12-7-15-29-19)30(27,28)18-10-5-2-6-11-18/h2,5-8,10-12,15,20H,1,3-4,9,13-14,16H2,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyGWEYDQHDEQBVBY-HXUWFJFHSA-N
MW430.53 g/mol
LogP2.92
Rot. Bonds8

About N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide

N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide (PubChem CID 27564475) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
PubChem CID27564475
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O5S/c25-21(23-14-13-17-8-3-1-4-9-17)22(26)24-16-20(19-12-7-15-29-19)30(27,28)18-10-5-2-6-11-18/h2,5-8,10-12,15,20H,1,3-4,9,13-14,16H2,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyGWEYDQHDEQBVBY-HXUWFJFHSA-N
XLogP2.92
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92693498
N-[2-(4-fluorophenyl)ethyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555072
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 7267957
2-(benzenesulfonamido)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112991103
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40774997
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 56764165
N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 27505970

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The IUPAC name of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide (CID 27564475) is N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The canonical SMILES for N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The InChIKey is GWEYDQHDEQBVBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-21(23-14-13-17-8-3-1-4-9-17)22(26)24-16-20(19-12-7-15-29-19)30(27,28)18-10-5-2-6-11-18/h2,5-8,10-12,15,20H,1,3-4,9,13-14,16H2,(H,23,25)(H,24,26)/t20-/m1/s1.
What are the key properties of N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide has a molecular weight of 430.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide is sourced from PubChem (CID 27564475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).