N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide

C19H23N3O3S2 — CID 124760068

IUPACN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1
InChIInChI=1S/C19H23N3O3S2/c1-26-16-4-2-3-15(11-16)21-19(24)18(23)20-12-17(14-5-8-25-13-14)22-6-9-27-10-7-22/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyJESVVPWPDGTIBP-KRWDZBQOSA-N
MW405.55 g/mol
LogP2.85
Rot. Bonds6

About N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide

N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 124760068) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID124760068
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1
InChIInChI=1S/C19H23N3O3S2/c1-26-16-4-2-3-15(11-16)21-19(24)18(23)20-12-17(14-5-8-25-13-14)22-6-9-27-10-7-22/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyJESVVPWPDGTIBP-KRWDZBQOSA-N
XLogP2.85
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 30835557
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 18571867
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-3-methoxybenzamide
CID 124875456
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721
1-(4-butoxyphenyl)-3-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]urea
CID 124878555
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide (CID 124760068) is N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1.
What is the InChIKey of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is JESVVPWPDGTIBP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-26-16-4-2-3-15(11-16)21-19(24)18(23)20-12-17(14-5-8-25-13-14)22-6-9-27-10-7-22/h2-5,8,11,13,17H,6-7,9-10,12H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 405.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 124760068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).