N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide

C22H27N3O6S — CID 30127311

IUPACN'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O6S/c1-2-31-19-7-5-18(6-8-19)24-22(27)21(26)23-12-11-17-3-9-20(10-4-17)32(28,29)25-13-15-30-16-14-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyRNHLLMXIUGTIGI-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.40
Rot. Bonds8

About N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide

N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide (PubChem CID 30127311) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
PubChem CID30127311
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O6S/c1-2-31-19-7-5-18(6-8-19)24-22(27)21(26)23-12-11-17-3-9-20(10-4-17)32(28,29)25-13-15-30-16-14-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyRNHLLMXIUGTIGI-UHFFFAOYSA-N
XLogP1.40
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
N'-(4-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]oxamide
CID 30127277
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
N'-[(2R)-butan-2-yl]-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127580
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
(E)-3-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]prop-2-enamide
CID 17227407

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide (CID 30127311) is N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
The InChIKey is RNHLLMXIUGTIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-2-31-19-7-5-18(6-8-19)24-22(27)21(26)23-12-11-17-3-9-20(10-4-17)32(28,29)25-13-15-30-16-14-25/h3-10H,2,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide?
N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide has a molecular weight of 461.54 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide is sourced from PubChem (CID 30127311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).