N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

C21H21FN2O4S — CID 4526754

IUPACN-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C21H21FN2O4S/c1-14-18-13-17(29(26,27)24-11-3-2-4-12-24)9-10-19(18)28-20(14)21(25)23-16-7-5-15(22)6-8-16/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyHZPUZBQAMJJHTL-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.31
Rot. Bonds4

About N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide

N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (PubChem CID 4526754) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
PubChem CID4526754
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC NameN-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C21H21FN2O4S/c1-14-18-13-17(29(26,27)24-11-3-2-4-12-24)9-10-19(18)28-20(14)21(25)23-16-7-5-15(22)6-8-16/h5-10,13H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyHZPUZBQAMJJHTL-UHFFFAOYSA-N
XLogP4.31
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
N-butan-2-yl-3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4059945
7-fluoro-3-methyl-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 31009311
N-(3-chloro-4-fluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4530457
[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 3243719
3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
(4-methylpiperazin-1-yl)-(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 5091000
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide (CID 4526754) is N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CCCCC3)cc12.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is HZPUZBQAMJJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-14-18-13-17(29(26,27)24-11-3-2-4-12-24)9-10-19(18)28-20(14)21(25)23-16-7-5-15(22)6-8-16/h5-10,13H,2-4,11-12H2,1H3,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide?
N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4526754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).