3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide

C19H20ClN3O6S — CID 55680625

IUPAC3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H20ClN3O6S/c20-16-5-4-14(11-17(16)30(26,27)23-6-8-28-9-7-23)22-18(24)12-29-15-3-1-2-13(10-15)19(21)25/h1-5,10-11H,6-9,12H2,(H2,21,25)(H,22,24)
InChIKeyWGQCKGWIQRTVJT-UHFFFAOYSA-N
MW453.90 g/mol
LogP1.48
Rot. Bonds7

About 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide

3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide (PubChem CID 55680625) has the molecular formula C19H20ClN3O6S and a molecular weight of 453.90 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
PubChem CID55680625
Molecular FormulaC19H20ClN3O6S
Molecular Weight453.90 g/mol
Exact Mass453.08
IUPAC Name3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H20ClN3O6S/c20-16-5-4-14(11-17(16)30(26,27)23-6-8-28-9-7-23)22-18(24)12-29-15-3-1-2-13(10-15)19(21)25/h1-5,10-11H,6-9,12H2,(H2,21,25)(H,22,24)
InChIKeyWGQCKGWIQRTVJT-UHFFFAOYSA-N
XLogP1.48
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545129
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
(3-carbamoylphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55642988
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 5016661
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701633
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 42963403
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 27985457
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide (CID 55680625) is 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide?
The InChIKey is WGQCKGWIQRTVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O6S/c20-16-5-4-14(11-17(16)30(26,27)23-6-8-28-9-7-23)22-18(24)12-29-15-3-1-2-13(10-15)19(21)25/h1-5,10-11H,6-9,12H2,(H2,21,25)(H,22,24).
What are the key properties of 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide?
3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide has a molecular weight of 453.90 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55680625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).