N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide

C18H20N2O4S — CID 95982419

IUPACN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)C1CC1
InChIInChI=1S/C18H20N2O4S/c1-25-14-6-3-2-5-13(14)20-17(22)16(21)19-11-18(23,12-8-9-12)15-7-4-10-24-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,19,21)(H,20,22)/t18-/m0/s1
InChIKeyMMYAWBRWRZYOGJ-SFHVURJKSA-N
MW360.44 g/mol
LogP2.35
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide

N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide (PubChem CID 95982419) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
PubChem CID95982419
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)C1CC1
InChIInChI=1S/C18H20N2O4S/c1-25-14-6-3-2-5-13(14)20-17(22)16(21)19-11-18(23,12-8-9-12)15-7-4-10-24-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,19,21)(H,20,22)/t18-/m0/s1
InChIKeyMMYAWBRWRZYOGJ-SFHVURJKSA-N
XLogP2.35
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2-methylsulfanylphenyl)oxamide
CID 56764387
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 94909095
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781539
N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 71781543
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 121085621
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342
N'-(2,3-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 111490867

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide (CID 95982419) is N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide is CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccco1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The InChIKey is MMYAWBRWRZYOGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-25-14-6-3-2-5-13(14)20-17(22)16(21)19-11-18(23,12-8-9-12)15-7-4-10-24-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,19,21)(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide?
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide has a molecular weight of 360.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 95982419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).