2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C18H23N3O6S2 — CID 1319182

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O6S2/c1-20(28(3,23)24)15-8-5-7-14(11-15)19-18(22)13-21(29(4,25)26)16-9-6-10-17(12-16)27-2/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyQUUKCTIKJUTNQA-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.50
Rot. Bonds8

About 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1319182) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1319182
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O6S2/c1-20(28(3,23)24)15-8-5-7-14(11-15)19-18(22)13-21(29(4,25)26)16-9-6-10-17(12-16)27-2/h5-12H,13H2,1-4H3,(H,19,22)
InChIKeyQUUKCTIKJUTNQA-UHFFFAOYSA-N
XLogP1.50
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1319182) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is COc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is QUUKCTIKJUTNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-20(28(3,23)24)15-8-5-7-14(11-15)19-18(22)13-21(29(4,25)26)16-9-6-10-17(12-16)27-2/h5-12H,13H2,1-4H3,(H,19,22).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1319182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).