2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C22H23FN2O6S2 — CID 30277815

IUPAC2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C22H23FN2O6S2/c1-29-18-11-15(12-19(30-2)22(18)31-3)13-24-20(26)14-25(17-8-6-16(23)7-9-17)33(27,28)21-5-4-10-32-21/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeySIOUNZUKKRKUPY-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.42
Rot. Bonds10

About 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 30277815) has the molecular formula C22H23FN2O6S2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID30277815
Molecular FormulaC22H23FN2O6S2
Molecular Weight494.57 g/mol
Exact Mass494.10
IUPAC Name2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C22H23FN2O6S2/c1-29-18-11-15(12-19(30-2)22(18)31-3)13-24-20(26)14-25(17-8-6-16(23)7-9-17)33(27,28)21-5-4-10-32-21/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeySIOUNZUKKRKUPY-UHFFFAOYSA-N
XLogP3.42
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30221910
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43898329
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
2-(N-ethyl-4-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55446177
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30268780
2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30220187
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43894513

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 30277815) is 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is SIOUNZUKKRKUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O6S2/c1-29-18-11-15(12-19(30-2)22(18)31-3)13-24-20(26)14-25(17-8-6-16(23)7-9-17)33(27,28)21-5-4-10-32-21/h4-12H,13-14H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30277815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).