2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide

C21H21FN2O4S2 — CID 30275804

IUPAC2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H21FN2O4S2/c1-15(2)28-19-6-3-5-17(13-19)23-20(25)14-24(18-10-8-16(22)9-11-18)30(26,27)21-7-4-12-29-21/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyJOUSGTBEHDFBPY-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.51
Rot. Bonds8

About 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 30275804) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID30275804
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H21FN2O4S2/c1-15(2)28-19-6-3-5-17(13-19)23-20(25)14-24(18-10-8-16(22)9-11-18)30(26,27)21-7-4-12-29-21/h3-13,15H,14H2,1-2H3,(H,23,25)
InChIKeyJOUSGTBEHDFBPY-UHFFFAOYSA-N
XLogP4.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30276735
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275822
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275792
N-(2,4-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 15990975
N-(2,5-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 126458216
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43900957
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43901770
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-(3-chlorophenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126387654

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide (CID 30275804) is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is JOUSGTBEHDFBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c1-15(2)28-19-6-3-5-17(13-19)23-20(25)14-24(18-10-8-16(22)9-11-18)30(26,27)21-7-4-12-29-21/h3-13,15H,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 448.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 30275804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).