2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C21H27N3O8S2 — CID 30220054

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C21H27N3O8S2/c1-30-17-6-4-5-16(13-17)24(33(3,26)27)15-21(25)22-19-14-18(7-8-20(19)31-2)34(28,29)23-9-11-32-12-10-23/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)
InChIKeyMUFARNZBVZNWPA-UHFFFAOYSA-N
MW513.59 g/mol
LogP1.13
Rot. Bonds9

About 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 30220054) has the molecular formula C21H27N3O8S2 and a molecular weight of 513.59 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID30220054
Molecular FormulaC21H27N3O8S2
Molecular Weight513.59 g/mol
Exact Mass513.12
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C21H27N3O8S2/c1-30-17-6-4-5-16(13-17)24(33(3,26)27)15-21(25)22-19-14-18(7-8-20(19)31-2)34(28,29)23-9-11-32-12-10-23/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)
InChIKeyMUFARNZBVZNWPA-UHFFFAOYSA-N
XLogP1.13
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772719
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896030
4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 43901012
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896334
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30276982
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892575
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893702
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892043
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892727
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892818

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 30220054) is 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is COc1cccc(N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MUFARNZBVZNWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O8S2/c1-30-17-6-4-5-16(13-17)24(33(3,26)27)15-21(25)22-19-14-18(7-8-20(19)31-2)34(28,29)23-9-11-32-12-10-23/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 513.59 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 30220054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).