N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide

C20H24N4O4S — CID 46973216

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)s1
InChIInChI=1S/C20H24N4O4S/c1-3-18-22-23-19(29-18)21-17(26)12-24-8-6-20(7-9-24)11-15(25)14-5-4-13(27-2)10-16(14)28-20/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,21,23,26)
InChIKeyKXVVWVCUDKRGJZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.55
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide (PubChem CID 46973216) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
PubChem CID46973216
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)s1
InChIInChI=1S/C20H24N4O4S/c1-3-18-22-23-19(29-18)21-17(26)12-24-8-6-20(7-9-24)11-15(25)14-5-4-13(27-2)10-16(14)28-20/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,21,23,26)
InChIKeyKXVVWVCUDKRGJZ-UHFFFAOYSA-N
XLogP2.55
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
CID 16674264
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774860
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
7-methoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108782006
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774888
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide (CID 46973216) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide is CCc1nnc(NC(=O)CN2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide?
The InChIKey is KXVVWVCUDKRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-3-18-22-23-19(29-18)21-17(26)12-24-8-6-20(7-9-24)11-15(25)14-5-4-13(27-2)10-16(14)28-20/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,21,23,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide is sourced from PubChem (CID 46973216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).