N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide

C22H27N3O5S — CID 30126882

IUPACN'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H27N3O5S/c1-16-3-6-19(15-17(16)2)24-22(27)21(26)23-10-9-18-4-7-20(8-5-18)31(28,29)25-11-13-30-14-12-25/h3-8,15H,9-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyFABSWTBAHDHNNP-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.62
Rot. Bonds6

About N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide

N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30126882) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30126882
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H27N3O5S/c1-16-3-6-19(15-17(16)2)24-22(27)21(26)23-10-9-18-4-7-20(8-5-18)31(28,29)25-11-13-30-14-12-25/h3-8,15H,9-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyFABSWTBAHDHNNP-UHFFFAOYSA-N
XLogP1.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.62
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-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'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127311
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127580
N'-(3-methylphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127600
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
N'-(2,5-dimethylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30126850
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 30126571
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
CID 3220629

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide (CID 30126882) is N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is FABSWTBAHDHNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-3-6-19(15-17(16)2)24-22(27)21(26)23-10-9-18-4-7-20(8-5-18)31(28,29)25-11-13-30-14-12-25/h3-8,15H,9-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 445.54 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30126882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).