N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide

C26H33N3O4S — CID 41218785

IUPACN-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H](C)Cc2cccs2)cc1
InChIInChI=1S/C26H33N3O4S/c1-18-10-12-26(13-11-18)24(31)29(25(32)27-26)17-23(30)28(19(2)15-22-5-4-14-34-22)16-20-6-8-21(33-3)9-7-20/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H,27,32)/t18?,19-,26?/m1/s1
InChIKeyWPDSROAJDHQSNZ-HOYUBGIKSA-N
MW483.63 g/mol
LogP4.22
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 41218785) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID41218785
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H](C)Cc2cccs2)cc1
InChIInChI=1S/C26H33N3O4S/c1-18-10-12-26(13-11-18)24(31)29(25(32)27-26)17-23(30)28(19(2)15-22-5-4-14-34-22)16-20-6-8-21(33-3)9-7-20/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H,27,32)/t18?,19-,26?/m1/s1
InChIKeyWPDSROAJDHQSNZ-HOYUBGIKSA-N
XLogP4.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.22
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-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9400930
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
N-[(4-methoxyphenyl)methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 33279598
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-[(4-methoxyphenyl)methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550945
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9281596
N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 8564779
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
N-[(4-methoxyphenyl)methyl]-3-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42907866
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 55398366
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
3-[[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17468561

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 41218785) is N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide is COc1ccc(CN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H](C)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is WPDSROAJDHQSNZ-HOYUBGIKSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-10-12-26(13-11-18)24(31)29(25(32)27-26)17-23(30)28(19(2)15-22-5-4-14-34-22)16-20-6-8-21(33-3)9-7-20/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H,27,32)/t18?,19-,26?/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 41218785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).