N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide

C20H25N3O6S — CID 92693498

IUPACN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O6S/c24-19(21-8-9-23-10-13-28-14-11-23)20(25)22-15-18(17-7-4-12-29-17)30(26,27)16-5-2-1-3-6-16/h1-7,12,18H,8-11,13-15H2,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyKZFHSQIPTZNXMV-SFHVURJKSA-N
MW435.50 g/mol
LogP0.36
Rot. Bonds8

About N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 92693498) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID92693498
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O6S/c24-19(21-8-9-23-10-13-28-14-11-23)20(25)22-15-18(17-7-4-12-29-17)30(26,27)16-5-2-1-3-6-16/h1-7,12,18H,8-11,13-15H2,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyKZFHSQIPTZNXMV-SFHVURJKSA-N
XLogP0.36
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 27505970
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
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-(cyclohexen-1-yl)ethyl]oxamide
CID 27564475
N'-[(2R)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 40773624
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16810737
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'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30608981
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 22584453
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 92693498) is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)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-morpholin-4-ylethyl)oxamide?
The InChIKey is KZFHSQIPTZNXMV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O6S/c24-19(21-8-9-23-10-13-28-14-11-23)20(25)22-15-18(17-7-4-12-29-17)30(26,27)16-5-2-1-3-6-16/h1-7,12,18H,8-11,13-15H2,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 435.50 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 92693498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).