N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide

C21H25N3O5S — CID 30126850

IUPACN'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-15-3-4-16(2)19(13-15)23-21(26)20(25)22-14-17-5-7-18(8-6-17)30(27,28)24-9-11-29-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHEFQAPURQKZCDR-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.58
Rot. Bonds5

About N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide

N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide (PubChem CID 30126850) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
PubChem CID30126850
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-15-3-4-16(2)19(13-15)23-21(26)20(25)22-14-17-5-7-18(8-6-17)30(27,28)24-9-11-29-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHEFQAPURQKZCDR-UHFFFAOYSA-N
XLogP1.58
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.58
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

3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
(Z)-2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pent-2-enamide
CID 49016183
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(2,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17432955
N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9110844
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 24687814

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide (CID 30126850) is N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide?
The InChIKey is HEFQAPURQKZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15-3-4-16(2)19(13-15)23-21(26)20(25)22-14-17-5-7-18(8-6-17)30(27,28)24-9-11-29-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide?
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide has a molecular weight of 431.51 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide is sourced from PubChem (CID 30126850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).