N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

C16H22ClN3O7S — CID 108520219

IUPACN'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESO=C(NCCOCCO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H22ClN3O7S/c17-13-2-1-12(28(24,25)20-4-8-27-9-5-20)11-14(13)19-16(23)15(22)18-3-7-26-10-6-21/h1-2,11,21H,3-10H2,(H,18,22)(H,19,23)
InChIKeyCCRRAYXFGYVGMT-UHFFFAOYSA-N
MW435.89 g/mol
LogP-0.58
Rot. Bonds8

About N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (PubChem CID 108520219) has the molecular formula C16H22ClN3O7S and a molecular weight of 435.89 g/mol. Its IUPAC name is N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
PubChem CID108520219
Molecular FormulaC16H22ClN3O7S
Molecular Weight435.89 g/mol
Exact Mass435.09
IUPAC NameN'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESO=C(NCCOCCO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H22ClN3O7S/c17-13-2-1-12(28(24,25)20-4-8-27-9-5-20)11-14(13)19-16(23)15(22)18-3-7-26-10-6-21/h1-2,11,21H,3-10H2,(H,18,22)(H,19,23)
InChIKeyCCRRAYXFGYVGMT-UHFFFAOYSA-N
XLogP-0.58
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
CID 108520247
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
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-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108520240
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea
CID 108913571
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880970
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopropanecarbonylamino)thiourea
CID 8625090

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The IUPAC name of N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (CID 108520219) is N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.
What is the SMILES notation for N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The canonical SMILES for N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is O=C(NCCOCCO)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The InChIKey is CCRRAYXFGYVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O7S/c17-13-2-1-12(28(24,25)20-4-8-27-9-5-20)11-14(13)19-16(23)15(22)18-3-7-26-10-6-21/h1-2,11,21H,3-10H2,(H,18,22)(H,19,23).
What are the key properties of N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide has a molecular weight of 435.89 g/mol, XLogP of -0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is sourced from PubChem (CID 108520219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).