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

C24H29N3O3S — CID 40863649

IUPAC2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O
InChIInChI=1S/C24H29N3O3S/c1-18-8-5-6-13-24(18)22(29)27(23(30)25-24)17-21(28)26(16-20-11-7-15-31-20)14-12-19-9-3-2-4-10-19/h2-4,7,9-11,15,18H,5-6,8,12-14,16-17H2,1H3,(H,25,30)/t18-,24+/m0/s1
InChIKeyGUDYFEDZDGZERR-MHECFPHRSA-N
MW439.58 g/mol
LogP3.82
Rot. Bonds7

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

2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 40863649) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID40863649
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O
InChIInChI=1S/C24H29N3O3S/c1-18-8-5-6-13-24(18)22(29)27(23(30)25-24)17-21(28)26(16-20-11-7-15-31-20)14-12-19-9-3-2-4-10-19/h2-4,7,9-11,15,18H,5-6,8,12-14,16-17H2,1H3,(H,25,30)/t18-,24+/m0/s1
InChIKeyGUDYFEDZDGZERR-MHECFPHRSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
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
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 27915789
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-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 55335287
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51189981
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571722
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177344
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8943406
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 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) is 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O.
What is the InChIKey of 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GUDYFEDZDGZERR-MHECFPHRSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-18-8-5-6-13-24(18)22(29)27(23(30)25-24)17-21(28)26(16-20-11-7-15-31-20)14-12-19-9-3-2-4-10-19/h2-4,7,9-11,15,18H,5-6,8,12-14,16-17H2,1H3,(H,25,30)/t18-,24+/m0/s1.
What are the key properties of 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 439.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 40863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).