N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

C18H25ClN4O5S — CID 108520240

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H25ClN4O5S/c1-2-21-5-7-22(8-6-21)18(25)17(24)20-16-13-14(3-4-15(16)19)29(26,27)23-9-11-28-12-10-23/h3-4,13H,2,5-12H2,1H3,(H,20,24)
InChIKeyCMAVOKQRIYEALG-UHFFFAOYSA-N
MW444.94 g/mol
LogP0.46
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108520240) has the molecular formula C18H25ClN4O5S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108520240
Molecular FormulaC18H25ClN4O5S
Molecular Weight444.94 g/mol
Exact Mass444.12
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H25ClN4O5S/c1-2-21-5-7-22(8-6-21)18(25)17(24)20-16-13-14(3-4-15(16)19)29(26,27)23-9-11-28-12-10-23/h3-4,13H,2,5-12H2,1H3,(H,20,24)
InChIKeyCMAVOKQRIYEALG-UHFFFAOYSA-N
XLogP0.46
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24980260
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
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(4-ethylpiperazin-1-yl)ethanone
CID 6493062
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520203
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
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
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2R)-pentan-2-yl]thiourea
CID 8618275
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108520219
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide (CID 108520240) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is CCN1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is CMAVOKQRIYEALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O5S/c1-2-21-5-7-22(8-6-21)18(25)17(24)20-16-13-14(3-4-15(16)19)29(26,27)23-9-11-28-12-10-23/h3-4,13H,2,5-12H2,1H3,(H,20,24).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 444.94 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108520240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).