2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide

C25H27FN2O5S — CID 43892812

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H27FN2O5S/c1-4-21(18-14-15-23(32-2)24(16-18)33-3)27-25(29)17-28(22-13-9-8-12-20(22)26)34(30,31)19-10-6-5-7-11-19/h5-16,21H,4,17H2,1-3H3,(H,27,29)
InChIKeyYJJWRRPQROGMHQ-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.31
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide (PubChem CID 43892812) has the molecular formula C25H27FN2O5S and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
PubChem CID43892812
Molecular FormulaC25H27FN2O5S
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H27FN2O5S/c1-4-21(18-14-15-23(32-2)24(16-18)33-3)27-25(29)17-28(22-13-9-8-12-20(22)26)34(30,31)19-10-6-5-7-11-19/h5-16,21H,4,17H2,1-3H3,(H,27,29)
InChIKeyYJJWRRPQROGMHQ-UHFFFAOYSA-N
XLogP4.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43901729
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43898957
2-[N-(benzenesulfonyl)anilino]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133185850
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92671566
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43894892
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30199967
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100634726

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide (CID 43892812) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
The InChIKey is YJJWRRPQROGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O5S/c1-4-21(18-14-15-23(32-2)24(16-18)33-3)27-25(29)17-28(22-13-9-8-12-20(22)26)34(30,31)19-10-6-5-7-11-19/h5-16,21H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 43892812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).