2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide

C23H24FN3O6S3 — CID 43900657

IUPAC2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H24FN3O6S3/c1-33-21-11-10-17(35(29,30)26-12-4-5-13-26)15-19(21)25-22(28)16-27(20-8-3-2-7-18(20)24)36(31,32)23-9-6-14-34-23/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,25,28)
InChIKeyKBAHFGODEHTHNS-UHFFFAOYSA-N
MW553.66 g/mol
LogP3.51
Rot. Bonds9

About 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 43900657) has the molecular formula C23H24FN3O6S3 and a molecular weight of 553.66 g/mol. Its IUPAC name is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID43900657
Molecular FormulaC23H24FN3O6S3
Molecular Weight553.66 g/mol
Exact Mass553.08
IUPAC Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H24FN3O6S3/c1-33-21-11-10-17(35(29,30)26-12-4-5-13-26)15-19(21)25-22(28)16-27(20-8-3-2-7-18(20)24)36(31,32)23-9-6-14-34-23/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,25,28)
InChIKeyKBAHFGODEHTHNS-UHFFFAOYSA-N
XLogP3.51
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.66
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43900649
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43900672
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219518
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99954310
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219303
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43905601
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 100709949
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43901819
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30224711
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 9466304

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 43900657) is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is KBAHFGODEHTHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O6S3/c1-33-21-11-10-17(35(29,30)26-12-4-5-13-26)15-19(21)25-22(28)16-27(20-8-3-2-7-18(20)24)36(31,32)23-9-6-14-34-23/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,25,28).
What are the key properties of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 553.66 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43900657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).