2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C20H23ClN2O6S — CID 16547841

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O6S/c1-14-11-15(21)3-5-18(14)29-13-20(24)22-17-12-16(4-6-19(17)27-2)30(25,26)23-7-9-28-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyUUFFCAIOQCSVJQ-UHFFFAOYSA-N
MW454.93 g/mol
LogP2.70
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16547841) has the molecular formula C20H23ClN2O6S and a molecular weight of 454.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16547841
Molecular FormulaC20H23ClN2O6S
Molecular Weight454.93 g/mol
Exact Mass454.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O6S/c1-14-11-15(21)3-5-18(14)29-13-20(24)22-17-12-16(4-6-19(17)27-2)30(25,26)23-7-9-28-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)
InChIKeyUUFFCAIOQCSVJQ-UHFFFAOYSA-N
XLogP2.70
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26065401
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 2533414
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3974867
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 6495060

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 16547841) is 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is UUFFCAIOQCSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6S/c1-14-11-15(21)3-5-18(14)29-13-20(24)22-17-12-16(4-6-19(17)27-2)30(25,26)23-7-9-28-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 454.93 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16547841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).