4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

C23H30N4O8S2 — CID 43901012

IUPAC4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C23H30N4O8S2/c1-25(2)23(29)17-5-7-18(8-6-17)27(36(4,30)31)16-22(28)24-20-15-19(9-10-21(20)34-3)37(32,33)26-11-13-35-14-12-26/h5-10,15H,11-14,16H2,1-4H3,(H,24,28)
InChIKeyAHSJAOGSYFLPNC-UHFFFAOYSA-N
MW554.65 g/mol
LogP0.82
Rot. Bonds9

About 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 43901012) has the molecular formula C23H30N4O8S2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID43901012
Molecular FormulaC23H30N4O8S2
Molecular Weight554.65 g/mol
Exact Mass554.15
IUPAC Name4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C23H30N4O8S2/c1-25(2)23(29)17-5-7-18(8-6-17)27(36(4,30)31)16-22(28)24-20-15-19(9-10-21(20)34-3)37(32,33)26-11-13-35-14-12-26/h5-10,15H,11-14,16H2,1-4H3,(H,24,28)
InChIKeyAHSJAOGSYFLPNC-UHFFFAOYSA-N
XLogP0.82
TPSA142.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896030
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220054
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-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893702
4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 55893839
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896334
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892818
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30273865
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896296
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893310

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (CID 43901012) is 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is AHSJAOGSYFLPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O8S2/c1-25(2)23(29)17-5-7-18(8-6-17)27(36(4,30)31)16-22(28)24-20-15-19(9-10-21(20)34-3)37(32,33)26-11-13-35-14-12-26/h5-10,15H,11-14,16H2,1-4H3,(H,24,28).
What are the key properties of 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 554.65 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43901012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).