N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

About N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 9451425) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name	N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID	9451425
Molecular Formula	C20H24FN3O3S
Molecular Weight	405.50 g/mol
Exact Mass	405.15
IUPAC Name	N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILES	C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCSc3ccc(F)cc31)C2=O
InChI	InChI=1S/C20H24FN3O3S/c1-12-4-2-3-8-20(12)18(26)24(19(27)23-20)11-17(25)22-15-7-9-28-16-6-5-13(21)10-14(15)16/h5-6,10,12,15H,2-4,7-9,11H2,1H3,(H,22,25)(H,23,27)/t12-,15-,20+/m1/s1
InChIKey	LBZFHIWXORSSSY-URFZZILJSA-N
XLogP	2.98
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 9451425) is N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCSc3ccc(F)cc31)C2=O.

What is the InChIKey of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is LBZFHIWXORSSSY-URFZZILJSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-12-4-2-3-8-20(12)18(26)24(19(27)23-20)11-17(25)22-15-7-9-28-16-6-5-13(21)10-14(15)16/h5-6,10,12,15H,2-4,7-9,11H2,1H3,(H,22,25)(H,23,27)/t12-,15-,20+/m1/s1.

What are the key properties of N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 9451425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).