N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C22H27FN2O5S — CID 26665163

IUPACN-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C22H27FN2O5S/c1-3-29-17-9-11-20(30-4-2)19(15-17)24-22(26)16-8-10-18(23)21(14-16)31(27,28)25-12-6-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,26)
InChIKeyFKEWDTPRJBCTOO-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.05
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26665163) has the molecular formula C22H27FN2O5S and a molecular weight of 450.53 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26665163
Molecular FormulaC22H27FN2O5S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC NameN-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C22H27FN2O5S/c1-3-29-17-9-11-20(30-4-2)19(15-17)24-22(26)16-8-10-18(23)21(14-16)31(27,28)25-12-6-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,26)
InChIKeyFKEWDTPRJBCTOO-UHFFFAOYSA-N
XLogP4.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
CID 5058623
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
N-(2-butoxy-5-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55675453
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
4-ethoxy-3-methoxy-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817562
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26864762
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 26665163) is N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is CCOc1ccc(OCC)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FKEWDTPRJBCTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S/c1-3-29-17-9-11-20(30-4-2)19(15-17)24-22(26)16-8-10-18(23)21(14-16)31(27,28)25-12-6-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 450.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26665163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).