N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide

C22H18F2N4O3S — CID 11648203

IUPACN-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3nsnc3c2)CC1)c1cc(=O)c2cc(F)c(F)cc2o1
InChIInChI=1S/C22H18F2N4O3S/c23-15-8-14-19(29)10-21(31-20(14)9-16(15)24)22(30)25-13-3-5-28(6-4-13)11-12-1-2-17-18(7-12)27-32-26-17/h1-2,7-10,13H,3-6,11H2,(H,25,30)
InChIKeyNXQHSQSITVUCBG-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide

N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide (PubChem CID 11648203) has the molecular formula C22H18F2N4O3S and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
PubChem CID11648203
Molecular FormulaC22H18F2N4O3S
Molecular Weight456.47 g/mol
Exact Mass456.11
IUPAC NameN-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc3nsnc3c2)CC1)c1cc(=O)c2cc(F)c(F)cc2o1
InChIInChI=1S/C22H18F2N4O3S/c23-15-8-14-19(29)10-21(31-20(14)9-16(15)24)22(30)25-13-3-5-28(6-4-13)11-12-1-2-17-18(7-12)27-32-26-17/h1-2,7-10,13H,3-6,11H2,(H,25,30)
InChIKeyNXQHSQSITVUCBG-UHFFFAOYSA-N
XLogP3.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide
CID 11583049
7-fluoro-4-oxo-N-[1-[(2-oxochromen-7-yl)methyl]piperidin-4-yl]chromene-2-carboxamide
CID 11583193
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide
CID 11464405
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-7-methoxy-4-oxochromene-2-carboxamide
CID 11633561
7-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11973799
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11974129
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11464897
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 55950311
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide (CID 11648203) is N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide is O=C(NC1CCN(Cc2ccc3nsnc3c2)CC1)c1cc(=O)c2cc(F)c(F)cc2o1.
What is the InChIKey of N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide?
The InChIKey is NXQHSQSITVUCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3S/c23-15-8-14-19(29)10-21(31-20(14)9-16(15)24)22(30)25-13-3-5-28(6-4-13)11-12-1-2-17-18(7-12)27-32-26-17/h1-2,7-10,13H,3-6,11H2,(H,25,30).
What are the key properties of N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide?
N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11648203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).