N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide

C19H24N2O5S — CID 22584425

IUPACN'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O5S/c1-14(2)10-11-20-18(22)19(23)21-13-17(16-9-6-12-26-16)27(24,25)15-7-4-3-5-8-15/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOETNJTODSQNMNC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.07
Rot. Bonds8

About N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide

N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide (PubChem CID 22584425) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
PubChem CID22584425
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O5S/c1-14(2)10-11-20-18(22)19(23)21-13-17(16-9-6-12-26-16)27(24,25)15-7-4-3-5-8-15/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOETNJTODSQNMNC-UHFFFAOYSA-N
XLogP2.07
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 7268216
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948
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-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92693498
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'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-fluorobenzamide
CID 22584447
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide (CID 22584425) is N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
The InChIKey is OETNJTODSQNMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(2)10-11-20-18(22)19(23)21-13-17(16-9-6-12-26-16)27(24,25)15-7-4-3-5-8-15/h3-9,12,14,17H,10-11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide?
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide has a molecular weight of 392.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 22584425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).