2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H23N3O5S2 — CID 1007866

IUPAC2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O5S2/c1-28(24,25)22(17-7-3-2-4-8-17)15-19(23)20-16-9-11-18(12-10-16)29(26,27)21-13-5-6-14-21/h2-4,7-12H,5-6,13-15H2,1H3,(H,20,23)
InChIKeyBQIOGEZTJQLQIX-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.88
Rot. Bonds7

About 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1007866) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1007866
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O5S2/c1-28(24,25)22(17-7-3-2-4-8-17)15-19(23)20-16-9-11-18(12-10-16)29(26,27)21-13-5-6-14-21/h2-4,7-12H,5-6,13-15H2,1H3,(H,20,23)
InChIKeyBQIOGEZTJQLQIX-UHFFFAOYSA-N
XLogP1.88
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1007866) is 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BQIOGEZTJQLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-28(24,25)22(17-7-3-2-4-8-17)15-19(23)20-16-9-11-18(12-10-16)29(26,27)21-13-5-6-14-21/h2-4,7-12H,5-6,13-15H2,1H3,(H,20,23).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 437.54 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1007866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).