2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C26H26FN3O5S — CID 30267910

IUPAC2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2F)cc1
InChIInChI=1S/C26H26FN3O5S/c1-35-19-12-14-20(15-13-19)36(33,34)30(24-11-5-3-9-22(24)27)18-25(31)28-23-10-4-2-8-21(23)26(32)29-16-6-7-17-29/h2-5,8-15H,6-7,16-18H2,1H3,(H,28,31)
InChIKeyJZJQRWNBKMDRLD-UHFFFAOYSA-N
MW511.58 g/mol
LogP3.90
Rot. Bonds8

About 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 30267910) has the molecular formula C26H26FN3O5S and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID30267910
Molecular FormulaC26H26FN3O5S
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2F)cc1
InChIInChI=1S/C26H26FN3O5S/c1-35-19-12-14-20(15-13-19)36(33,34)30(24-11-5-3-9-22(24)27)18-25(31)28-23-10-4-2-8-21(23)26(32)29-16-6-7-17-29/h2-5,8-15H,6-7,16-18H2,1H3,(H,28,31)
InChIKeyJZJQRWNBKMDRLD-UHFFFAOYSA-N
XLogP3.90
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 30276214
2-[[2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide
CID 30271198
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43900108
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126031095
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 30273400
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126183245
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 23795569
N-(4-ethylphenyl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30262115
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266194
N-(2,5-dimethoxyphenyl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1363111

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 30267910) is 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is JZJQRWNBKMDRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5S/c1-35-19-12-14-20(15-13-19)36(33,34)30(24-11-5-3-9-22(24)27)18-25(31)28-23-10-4-2-8-21(23)26(32)29-16-6-7-17-29/h2-5,8-15H,6-7,16-18H2,1H3,(H,28,31).
What are the key properties of 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 511.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 30267910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).