N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

C20H29N3O5S — CID 3264474

IUPACN'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H29N3O5S/c1-15-8-10-17(11-9-15)29(26,27)23-12-5-13-28-18(23)14-21-19(24)20(25)22-16-6-3-2-4-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyDSZWBORXEWAMTH-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.30
Rot. Bonds5

About N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide

N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (PubChem CID 3264474) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
PubChem CID3264474
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H29N3O5S/c1-15-8-10-17(11-9-15)29(26,27)23-12-5-13-28-18(23)14-21-19(24)20(25)22-16-6-3-2-4-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyDSZWBORXEWAMTH-UHFFFAOYSA-N
XLogP1.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.30
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

4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]benzene-1-sulfonamide
CID 16125613
Ethyl 1-((4-methylphenyl)sulfonyl)-3-oxo-2-piperazineacetate
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N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
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CID 894193
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N-cyclohexyl-2,4,6-trimethyl-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2202518
4-methyl-N,N-bis[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2204445
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 2336359
(E)-N-[(4-methylphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2671758
ethyl 4-{N-cyclohexyl-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 2925960
N~1~-(3-ethoxypropyl)-N~2~-[(4-methylphenyl)sulfonyl]alaninamide
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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide (CID 3264474) is N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is Cc1ccc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
The InChIKey is DSZWBORXEWAMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-15-8-10-17(11-9-15)29(26,27)23-12-5-13-28-18(23)14-21-19(24)20(25)22-16-6-3-2-4-7-16/h8-11,16,18H,2-7,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide?
N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide has a molecular weight of 423.54 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide is sourced from PubChem (CID 3264474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).