N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C23H25FN2O5S2 — CID 43901729

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H25FN2O5S2/c1-4-18(16-11-12-20(30-2)21(14-16)31-3)25-22(27)15-26(19-9-6-5-8-17(19)24)33(28,29)23-10-7-13-32-23/h5-14,18H,4,15H2,1-3H3,(H,25,27)
InChIKeyMXOBXZCRJMCAOW-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.37
Rot. Bonds10

About N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 43901729) has the molecular formula C23H25FN2O5S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID43901729
Molecular FormulaC23H25FN2O5S2
Molecular Weight492.59 g/mol
Exact Mass492.12
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCC(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H25FN2O5S2/c1-4-18(16-11-12-20(30-2)21(14-16)31-3)25-22(27)15-26(19-9-6-5-8-17(19)24)33(28,29)23-10-7-13-32-23/h5-14,18H,4,15H2,1-3H3,(H,25,27)
InChIKeyMXOBXZCRJMCAOW-UHFFFAOYSA-N
XLogP4.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 43892812
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303449
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43898957
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43900672
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895870

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 43901729) is N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is CCC(NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is MXOBXZCRJMCAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5S2/c1-4-18(16-11-12-20(30-2)21(14-16)31-3)25-22(27)15-26(19-9-6-5-8-17(19)24)33(28,29)23-10-7-13-32-23/h5-14,18H,4,15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 492.59 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 43901729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).