2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C19H27FN4O5S2 — CID 20927515

IUPAC2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)NC(C)C)c(S(=O)(=O)NC(C)C)c2)cc1F
InChIInChI=1S/C19H27FN4O5S2/c1-12(2)22-30(26,27)17-9-24(10-18(17)31(28,29)23-13(3)4)11-19(25)21-15-7-6-14(5)16(20)8-15/h6-10,12-13,22-23H,11H2,1-5H3,(H,21,25)
InChIKeyWYIUSSDOPZRCIT-UHFFFAOYSA-N
MW474.58 g/mol
LogP1.95
Rot. Bonds9

About 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 20927515) has the molecular formula C19H27FN4O5S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID20927515
Molecular FormulaC19H27FN4O5S2
Molecular Weight474.58 g/mol
Exact Mass474.14
IUPAC Name2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(S(=O)(=O)NC(C)C)c(S(=O)(=O)NC(C)C)c2)cc1F
InChIInChI=1S/C19H27FN4O5S2/c1-12(2)22-30(26,27)17-9-24(10-18(17)31(28,29)23-13(3)4)11-19(25)21-15-7-6-14(5)16(20)8-15/h6-10,12-13,22-23H,11H2,1-5H3,(H,21,25)
InChIKeyWYIUSSDOPZRCIT-UHFFFAOYSA-N
XLogP1.95
TPSA126.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 20927515) is 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)NC(C)C)c(S(=O)(=O)NC(C)C)c2)cc1F.
What is the InChIKey of 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is WYIUSSDOPZRCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O5S2/c1-12(2)22-30(26,27)17-9-24(10-18(17)31(28,29)23-13(3)4)11-19(25)21-15-7-6-14(5)16(20)8-15/h6-10,12-13,22-23H,11H2,1-5H3,(H,21,25).
What are the key properties of 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 474.58 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(propan-2-ylsulfamoyl)pyrrol-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 20927515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).