N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide

C16H21ClN4O6S — CID 108520247

IUPACN-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H21ClN4O6S/c1-11(22)18-4-5-19-15(23)16(24)20-14-10-12(2-3-13(14)17)28(25,26)21-6-8-27-9-7-21/h2-3,10H,4-9H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyJSYNPFQNZCVISJ-UHFFFAOYSA-N
MW432.89 g/mol
LogP-0.45
Rot. Bonds6

About N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide

N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide (PubChem CID 108520247) has the molecular formula C16H21ClN4O6S and a molecular weight of 432.89 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
PubChem CID108520247
Molecular FormulaC16H21ClN4O6S
Molecular Weight432.89 g/mol
Exact Mass432.09
IUPAC NameN-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H21ClN4O6S/c1-11(22)18-4-5-19-15(23)16(24)20-14-10-12(2-3-13(14)17)28(25,26)21-6-8-27-9-7-21/h2-3,10H,4-9H2,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyJSYNPFQNZCVISJ-UHFFFAOYSA-N
XLogP-0.45
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108520219
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520203
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108520240
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891884
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108792177
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride
CID 42997088
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2R)-pentan-2-yl]thiourea
CID 8618275
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide (CID 108520247) is N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide is CC(=O)NCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide?
The InChIKey is JSYNPFQNZCVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O6S/c1-11(22)18-4-5-19-15(23)16(24)20-14-10-12(2-3-13(14)17)28(25,26)21-6-8-27-9-7-21/h2-3,10H,4-9H2,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide?
N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide has a molecular weight of 432.89 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide is sourced from PubChem (CID 108520247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).