N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide

C20H24N2O5S — CID 9161752

IUPACN'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC2CC2)c2ccco2)cc1
InChIInChI=1S/C20H24N2O5S/c1-13(2)14-5-9-16(10-6-14)28(25,26)18(17-4-3-11-27-17)12-21-19(23)20(24)22-15-7-8-15/h3-6,9-11,13,15,18H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyPKPDKYSFPMLLQT-SFHVURJKSA-N
MW404.49 g/mol
LogP2.31
Rot. Bonds7

About N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide

N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide (PubChem CID 9161752) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
PubChem CID9161752
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC2CC2)c2ccco2)cc1
InChIInChI=1S/C20H24N2O5S/c1-13(2)14-5-9-16(10-6-14)28(25,26)18(17-4-3-11-27-17)12-21-19(23)20(24)22-15-7-8-15/h3-6,9-11,13,15,18H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyPKPDKYSFPMLLQT-SFHVURJKSA-N
XLogP2.31
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.31
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'-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161759
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
CID 9161526
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
CID 9161691
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]pentanamide
CID 9161490
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
CID 9161431
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 7268303
N'-cyclohexyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584643
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075
N'-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(3-methylbutyl)oxamide
CID 22584425

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide (CID 9161752) is N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide is CC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC2CC2)c2ccco2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide?
The InChIKey is PKPDKYSFPMLLQT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(2)14-5-9-16(10-6-14)28(25,26)18(17-4-3-11-27-17)12-21-19(23)20(24)22-15-7-8-15/h3-6,9-11,13,15,18H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide?
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide has a molecular weight of 404.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide is sourced from PubChem (CID 9161752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).