N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide

C15H19N3O5S — CID 3220629

IUPACN'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H19N3O5S/c1-2-7-16-14(19)15(20)17-12-3-5-13(6-4-12)24(21,22)18-8-10-23-11-9-18/h2-6H,1,7-11H2,(H,16,19)(H,17,20)
InChIKeyCIFBZSLFKJXUFZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP-0.05
Rot. Bonds5

About N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide

N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide (PubChem CID 3220629) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
PubChem CID3220629
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H19N3O5S/c1-2-7-16-14(19)15(20)17-12-3-5-13(6-4-12)24(21,22)18-8-10-23-11-9-18/h2-6H,1,7-11H2,(H,16,19)(H,17,20)
InChIKeyCIFBZSLFKJXUFZ-UHFFFAOYSA-N
XLogP-0.05
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
3-(4-morpholin-4-ylsulfonylphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 3942094
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-prop-2-enyl-N'-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]oxamide
CID 17248850
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127311
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
CID 2144801

Frequently Asked Questions

What is the IUPAC name of N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide (CID 3220629) is N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide?
The InChIKey is CIFBZSLFKJXUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-2-7-16-14(19)15(20)17-12-3-5-13(6-4-12)24(21,22)18-8-10-23-11-9-18/h2-6H,1,7-11H2,(H,16,19)(H,17,20).
What are the key properties of N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide?
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide has a molecular weight of 353.40 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 3220629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).