1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide

C21H24FN3O5S — CID 5058623

IUPAC1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H24FN3O5S/c1-2-30-18-6-4-3-5-17(18)24-21(27)15-7-8-16(22)19(13-15)31(28,29)25-11-9-14(10-12-25)20(23)26/h3-8,13-14H,2,9-12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyMUICTJJWJTYATG-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.36
Rot. Bonds7

About 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide

1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 5058623) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
PubChem CID5058623
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H24FN3O5S/c1-2-30-18-6-4-3-5-17(18)24-21(27)15-7-8-16(22)19(13-15)31(28,29)25-11-9-14(10-12-25)20(23)26/h3-8,13-14H,2,9-12H2,1H3,(H2,23,26)(H,24,27)
InChIKeyMUICTJJWJTYATG-UHFFFAOYSA-N
XLogP2.36
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665163
N-(2-ethoxyphenyl)-4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 5082465
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55528339
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide (CID 5058623) is 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is MUICTJJWJTYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c1-2-30-18-6-4-3-5-17(18)24-21(27)15-7-8-16(22)19(13-15)31(28,29)25-11-9-14(10-12-25)20(23)26/h3-8,13-14H,2,9-12H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide?
1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5058623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).