N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide

C23H22FNO5S — CID 70682572

IUPACN-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2ccccc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H22FNO5S/c1-29-18-12-13-21(30-2)17(14-18)16-25(23(26)15-24)20-10-6-7-11-22(20)31(27,28)19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyRPURQPRZKZKJCN-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.04
Rot. Bonds8

About N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide

N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide (PubChem CID 70682572) has the molecular formula C23H22FNO5S and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
PubChem CID70682572
Molecular FormulaC23H22FNO5S
Molecular Weight443.50 g/mol
Exact Mass443.12
IUPAC NameN-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2ccccc2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H22FNO5S/c1-29-18-12-13-21(30-2)17(14-18)16-25(23(26)15-24)20-10-6-7-11-22(20)31(27,28)19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyRPURQPRZKZKJCN-UHFFFAOYSA-N
XLogP4.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 122591164
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92673487
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
N-(5-amino-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 71470709
5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124497
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[[2-(fluoromethyl)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 22556111
N-(5-chloro-2-phenylmethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 143430294
N-[(2,5-dimethoxyphenyl)methyl]-N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 143936412
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate
CID 44602047

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The IUPAC name of N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide (CID 70682572) is N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The canonical SMILES for N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide is COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The InChIKey is RPURQPRZKZKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5S/c1-29-18-12-13-21(30-2)17(14-18)16-25(23(26)15-24)20-10-6-7-11-22(20)31(27,28)19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3.
What are the key properties of N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide has a molecular weight of 443.50 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide is sourced from PubChem (CID 70682572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).