2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

C21H29N3O7S2 — CID 30400596

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C21H29N3O7S2/c1-6-31-20-10-8-7-9-18(20)24(32(5,26)27)14-21(25)22-17-13-16(11-12-19(17)30-4)33(28,29)23-15(2)3/h7-13,15,23H,6,14H2,1-5H3,(H,22,25)
InChIKeyURPMYWAKBKBCOZ-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.19
Rot. Bonds11

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 30400596) has the molecular formula C21H29N3O7S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID30400596
Molecular FormulaC21H29N3O7S2
Molecular Weight499.61 g/mol
Exact Mass499.14
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C21H29N3O7S2/c1-6-31-20-10-8-7-9-18(20)24(32(5,26)27)14-21(25)22-17-13-16(11-12-19(17)30-4)33(28,29)23-15(2)3/h7-13,15,23H,6,14H2,1-5H3,(H,22,25)
InChIKeyURPMYWAKBKBCOZ-UHFFFAOYSA-N
XLogP2.19
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902428
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 92680849
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43900674
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92676515
2-(4-chloro-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 46763080
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 92675116
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43876537
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 92671719
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902059
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43900672

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 30400596) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is CCOc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is URPMYWAKBKBCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O7S2/c1-6-31-20-10-8-7-9-18(20)24(32(5,26)27)14-21(25)22-17-13-16(11-12-19(17)30-4)33(28,29)23-15(2)3/h7-13,15,23H,6,14H2,1-5H3,(H,22,25).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 499.61 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 30400596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).