2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H27N3O6S2 — CID 2968760

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16-4-8-19(9-5-16)24(31(3,26)27)17(2)21(25)22-18-6-10-20(11-7-18)32(28,29)23-12-14-30-15-13-23/h4-11,17H,12-15H2,1-3H3,(H,22,25)
InChIKeyCZNQZFFLMWLEGX-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.81
Rot. Bonds7

About 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide

2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2968760) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2968760
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H27N3O6S2/c1-16-4-8-19(9-5-16)24(31(3,26)27)17(2)21(25)22-18-6-10-20(11-7-18)32(28,29)23-12-14-30-15-13-23/h4-11,17H,12-15H2,1-3H3,(H,22,25)
InChIKeyCZNQZFFLMWLEGX-UHFFFAOYSA-N
XLogP1.81
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2968760) is 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is CZNQZFFLMWLEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-16-4-8-19(9-5-16)24(31(3,26)27)17(2)21(25)22-18-6-10-20(11-7-18)32(28,29)23-12-14-30-15-13-23/h4-11,17H,12-15H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide?
2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 481.60 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2968760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).