2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C25H26FN3O5S2 — CID 126262098

IUPAC2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O5S2/c1-19-4-12-24(13-5-19)36(33,34)29(22-10-6-20(26)7-11-22)18-25(30)27-21-8-14-23(15-9-21)35(31,32)28-16-2-3-17-28/h4-15H,2-3,16-18H2,1H3,(H,27,30)
InChIKeyMBBICHPFRWCHKK-UHFFFAOYSA-N
MW531.63 g/mol
LogP3.75
Rot. Bonds8

About 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 126262098) has the molecular formula C25H26FN3O5S2 and a molecular weight of 531.63 g/mol. Its IUPAC name is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID126262098
Molecular FormulaC25H26FN3O5S2
Molecular Weight531.63 g/mol
Exact Mass531.13
IUPAC Name2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O5S2/c1-19-4-12-24(13-5-19)36(33,34)29(22-10-6-20(26)7-11-22)18-25(30)27-21-8-14-23(15-9-21)35(31,32)28-16-2-3-17-28/h4-15H,2-3,16-18H2,1H3,(H,27,30)
InChIKeyMBBICHPFRWCHKK-UHFFFAOYSA-N
XLogP3.75
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3952309
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53279235
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-(3,4-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 53279104
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882332
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4268045
4-(4-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 21367388
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43880133
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51344518
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 126262098) is 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MBBICHPFRWCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5S2/c1-19-4-12-24(13-5-19)36(33,34)29(22-10-6-20(26)7-11-22)18-25(30)27-21-8-14-23(15-9-21)35(31,32)28-16-2-3-17-28/h4-15H,2-3,16-18H2,1H3,(H,27,30).
What are the key properties of 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 531.63 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 126262098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).