(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide

C20H31N3O5S — CID 97347639

IUPAC(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide
SMILESCCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H31N3O5S/c1-5-6-7-18(28-22-15(2)3)20(24)21-17-9-8-16(4)19(14-17)29(25,26)23-10-12-27-13-11-23/h8-9,14,18H,5-7,10-13H2,1-4H3,(H,21,24)/t18-/m1/s1
InChIKeyXQSONXSOFUPPAF-GOSISDBHSA-N
MW425.55 g/mol
LogP2.93
Rot. Bonds9

About (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide

(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide (PubChem CID 97347639) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide
PubChem CID97347639
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide
SMILESCCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H31N3O5S/c1-5-6-7-18(28-22-15(2)3)20(24)21-17-9-8-16(4)19(14-17)29(25,26)23-10-12-27-13-11-23/h8-9,14,18H,5-7,10-13H2,1-4H3,(H,21,24)/t18-/m1/s1
InChIKeyXQSONXSOFUPPAF-GOSISDBHSA-N
XLogP2.93
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 136693013
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55909628
2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 51924820
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 11921071
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide?
The IUPAC name of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide (CID 97347639) is (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide.
What is the SMILES notation for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide?
The canonical SMILES for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide is CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide?
The InChIKey is XQSONXSOFUPPAF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-5-6-7-18(28-22-15(2)3)20(24)21-17-9-8-16(4)19(14-17)29(25,26)23-10-12-27-13-11-23/h8-9,14,18H,5-7,10-13H2,1-4H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide?
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide has a molecular weight of 425.55 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylideneamino)oxyhexanamide is sourced from PubChem (CID 97347639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).