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

C19H22ClN3O3S — CID 124873494

IUPACN-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C19H22ClN3O3S/c20-16-3-1-14(2-4-16)11-21-18(24)19(25)22-12-17(15-5-8-26-13-15)23-6-9-27-10-7-23/h1-5,8,13,17H,6-7,9-12H2,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyBFZBMPLETKWQOA-KRWDZBQOSA-N
MW407.92 g/mol
LogP2.46
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide (PubChem CID 124873494) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
PubChem CID124873494
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccoc1)N1CCSCC1
InChIInChI=1S/C19H22ClN3O3S/c20-16-3-1-14(2-4-16)11-21-18(24)19(25)22-12-17(15-5-8-26-13-15)23-6-9-27-10-7-23/h1-5,8,13,17H,6-7,9-12H2,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyBFZBMPLETKWQOA-KRWDZBQOSA-N
XLogP2.46
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.46
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-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
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-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
N'-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[(4-chlorophenyl)methyl]oxamide
CID 40857959
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
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
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760459
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
CID 124878531
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 124760068

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide (CID 124873494) is N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccoc1)N1CCSCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide?
The InChIKey is BFZBMPLETKWQOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-16-3-1-14(2-4-16)11-21-18(24)19(25)22-12-17(15-5-8-26-13-15)23-6-9-27-10-7-23/h1-5,8,13,17H,6-7,9-12H2,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide has a molecular weight of 407.92 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide is sourced from PubChem (CID 124873494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).