N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide

C19H24N2O5S — CID 9162312

IUPACN'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H24N2O5S/c1-4-9-20-18(22)19(23)21-12-17(15-6-5-10-26-15)27(24,25)16-11-13(2)7-8-14(16)3/h5-8,10-11,17H,4,9,12H2,1-3H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyUYVPSTNDMBTIMR-KRWDZBQOSA-N
MW392.48 g/mol
LogP2.05
Rot. Bonds7

About N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide

N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide (PubChem CID 9162312) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
PubChem CID9162312
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H24N2O5S/c1-4-9-20-18(22)19(23)21-12-17(15-6-5-10-26-15)27(24,25)16-11-13(2)7-8-14(16)3/h5-8,10-11,17H,4,9,12H2,1-3H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyUYVPSTNDMBTIMR-KRWDZBQOSA-N
XLogP2.05
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.05
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'-[(2S)-butan-2-yl]-N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 9162337
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 9162349
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzamide
CID 9162240
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
CID 9162182
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162219
N'-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-ethyloxamide
CID 9161190
1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9168430
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-hydroxyethyl)oxamide
CID 7267948

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide?
The IUPAC name of N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide (CID 9162312) is N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide.
What is the SMILES notation for N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide?
The canonical SMILES for N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide is CCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide?
The InChIKey is UYVPSTNDMBTIMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-9-20-18(22)19(23)21-12-17(15-6-5-10-26-15)27(24,25)16-11-13(2)7-8-14(16)3/h5-8,10-11,17H,4,9,12H2,1-3H3,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide?
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide has a molecular weight of 392.48 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide is sourced from PubChem (CID 9162312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).