N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide

C23H23FN2O5S — CID 30256831

IUPACN-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2F)cc1OC
InChIInChI=1S/C23H23FN2O5S/c1-30-21-13-12-18(14-22(21)31-2)32(28,29)26(20-11-7-6-10-19(20)24)16-23(27)25-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyKZKPBLUBFZLEAJ-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.35
Rot. Bonds9

About N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide

N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide (PubChem CID 30256831) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
PubChem CID30256831
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2F)cc1OC
InChIInChI=1S/C23H23FN2O5S/c1-30-21-13-12-18(14-22(21)31-2)32(28,29)26(20-11-7-6-10-19(20)24)16-23(27)25-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyKZKPBLUBFZLEAJ-UHFFFAOYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265573
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272961
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901024
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-naphthalen-1-ylacetamide
CID 30259391
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43899402
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 43899643
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 30266174
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30264278

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The IUPAC name of N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide (CID 30256831) is N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The canonical SMILES for N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccccc2F)cc1OC.
What is the InChIKey of N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
The InChIKey is KZKPBLUBFZLEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-30-21-13-12-18(14-22(21)31-2)32(28,29)26(20-11-7-6-10-19(20)24)16-23(27)25-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide?
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide has a molecular weight of 458.51 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide is sourced from PubChem (CID 30256831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).