2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide

C21H27N3O5S — CID 2890313

IUPAC2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O5S/c1-5-15(2)22-21(26)14-24(18-8-10-19(29-4)11-9-18)30(27,28)20-12-6-17(7-13-20)23-16(3)25/h6-13,15H,5,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyMVJZAMMYJFNBNC-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.76
Rot. Bonds9

About 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide

2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide (PubChem CID 2890313) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide
PubChem CID2890313
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O5S/c1-5-15(2)22-21(26)14-24(18-8-10-19(29-4)11-9-18)30(27,28)20-12-6-17(7-13-20)23-16(3)25/h6-13,15H,5,14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyMVJZAMMYJFNBNC-UHFFFAOYSA-N
XLogP2.76
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide (CID 2890313) is 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide?
The InChIKey is MVJZAMMYJFNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-5-15(2)22-21(26)14-24(18-8-10-19(29-4)11-9-18)30(27,28)20-12-6-17(7-13-20)23-16(3)25/h6-13,15H,5,14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide?
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide has a molecular weight of 433.53 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-butan-2-ylacetamide is sourced from PubChem (CID 2890313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).