N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide

C23H27N3O4S — CID 25363216

IUPACN-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C23H27N3O4S/c1-16-6-3-4-12-23(16)21(28)26(22(29)24-23)15-20(27)25(14-19-7-5-13-31-19)17-8-10-18(30-2)11-9-17/h5,7-11,13,16H,3-4,6,12,14-15H2,1-2H3,(H,24,29)/t16-,23-/m1/s1
InChIKeyZTLUPUJZILJBDG-WAIKUNEKSA-N
MW441.55 g/mol
LogP3.79
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide

N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 25363216) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID25363216
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C23H27N3O4S/c1-16-6-3-4-12-23(16)21(28)26(22(29)24-23)15-20(27)25(14-19-7-5-13-31-19)17-8-10-18(30-2)11-9-17/h5,7-11,13,16H,3-4,6,12,14-15H2,1-2H3,(H,24,29)/t16-,23-/m1/s1
InChIKeyZTLUPUJZILJBDG-WAIKUNEKSA-N
XLogP3.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40881449
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 40863649
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18201440
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 51268028
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
N-ethyl-N-(4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7875413
N-ethyl-N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196058
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
N-[(4-methoxyphenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2490547
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55419795
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955679
(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30806550

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 25363216) is N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZTLUPUJZILJBDG-WAIKUNEKSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-6-3-4-12-23(16)21(28)26(22(29)24-23)15-20(27)25(14-19-7-5-13-31-19)17-8-10-18(30-2)11-9-17/h5,7-11,13,16H,3-4,6,12,14-15H2,1-2H3,(H,24,29)/t16-,23-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 441.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 25363216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).