N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide

C23H23FN2O3S — CID 112804142

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-2-29-19-6-3-15(4-7-19)23(28)26-11-9-18(10-12-26)25-22(27)21-14-16-13-17(24)5-8-20(16)30-21/h3-8,13-14,18H,2,9-12H2,1H3,(H,25,27)
InChIKeySJWOHHQVHGODCJ-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.47
Rot. Bonds5

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 112804142) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID112804142
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-2-29-19-6-3-15(4-7-19)23(28)26-11-9-18(10-12-26)25-22(27)21-14-16-13-17(24)5-8-20(16)30-21/h3-8,13-14,18H,2,9-12H2,1H3,(H,25,27)
InChIKeySJWOHHQVHGODCJ-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 112804110
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 112804112
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 112804141
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-nitrothiophene-3-carboxamide
CID 112834504
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 114550317

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide (CID 112804142) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is SJWOHHQVHGODCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-2-29-19-6-3-15(4-7-19)23(28)26-11-9-18(10-12-26)25-22(27)21-14-16-13-17(24)5-8-20(16)30-21/h3-8,13-14,18H,2,9-12H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 112804142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).