N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide

C24H21FN2O3S — CID 11510399

IUPACN-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3sccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C24H21FN2O3S/c25-17-2-3-19-20(28)13-22(30-21(19)12-17)24(29)26-18-5-8-27(9-6-18)14-15-1-4-23-16(11-15)7-10-31-23/h1-4,7,10-13,18H,5-6,8-9,14H2,(H,26,29)
InChIKeySZJOZHJPOSHWMC-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide

N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide (PubChem CID 11510399) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
PubChem CID11510399
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC NameN-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3sccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIInChI=1S/C24H21FN2O3S/c25-17-2-3-19-20(28)13-22(30-21(19)12-17)24(29)26-18-5-8-27(9-6-18)14-15-1-4-23-16(11-15)7-10-31-23/h1-4,7,10-13,18H,5-6,8-9,14H2,(H,26,29)
InChIKeySZJOZHJPOSHWMC-UHFFFAOYSA-N
XLogP4.54
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide (CID 11510399) is N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide is O=C(NC1CCN(Cc2ccc3sccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1.
What is the InChIKey of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide?
The InChIKey is SZJOZHJPOSHWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c25-17-2-3-19-20(28)13-22(30-21(19)12-17)24(29)26-18-5-8-27(9-6-18)14-15-1-4-23-16(11-15)7-10-31-23/h1-4,7,10-13,18H,5-6,8-9,14H2,(H,26,29).
What are the key properties of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide?
N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11510399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).